[ CAS No. 13133-07-8 ] {[proInfo.proName]}

Name: 13133-07-8|(2R,3R,4S,5S,6R)-2-(((2S,3S,4S,5R)-2-((((2R,3S,4S,5R)-2-((((2R,3S,4S,5R)-3,4-Dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl)oxy)methyl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)methyl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol|95%
Brand: Ambeed
SKU: A148399
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Quality Control of [ 13133-07-8 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 13133-07-8 ]

SDS Specification

Alternatived Products of [ 13133-07-8 ]

Product Details of [ 13133-07-8 ]

CAS No. :	13133-07-8	MDL No. :	MFCD00191672
Formula :	C₂₄H₄₂O₂₁	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	FLDFNEBHEXLZRX-DLQNOBSRSA-N
M.W :	666.58	Pubchem ID :	166775
Synonyms :		Chemical Name :	(2R,3R,4S,5S,6R)-2-(((2S,3S,4S,5R)-2-((((2R,3S,4S,5R)-2-((((2R,3S,4S,5R)-3,4-Dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl)oxy)methyl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)methyl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

Calculated chemistry of [ 13133-07-8 ]

Physicochemical Properties

Num. heavy atoms :	45
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	13
Num. H-bond acceptors :	21.0
Num. H-bond donors :	14.0
Molar Refractivity :	133.0
TPSA :	347.83 Å²

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-15.61 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-0.8
Log Po/w (XLOGP3) :	-7.38
Log Po/w (WLOGP) :	-9.74
Log Po/w (MLOGP) :	-8.02
Log Po/w (SILICOS-IT) :	-6.86
Consensus Log Po/w :	-6.56

Druglikeness

Lipinski :	3.0
Ghose :	None
Veber :	2.0
Egan :	1.0
Muegge :	5.0
Bioavailability Score :	0.17

Water Solubility

Log S (ESOL) :	1.53
Solubility :	22800.0 mg/ml ; 34.2 mol/l
Class :	Highly soluble
Log S (Ali) :	0.8
Solubility :	4230.0 mg/ml ; 6.35 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	6.09
Solubility :	824000000.0 mg/ml ; 1240000.0 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	7.25

Safety of [ 13133-07-8 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 13133-07-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 13133-07-8 ]
Downstream synthetic route of [ 13133-07-8 ]

[ 13133-07-8 ] Synthesis Path-Upstream 1~14

1
[ 25101-99-9 ]
[ 13133-07-8 ]

Yield	Reaction Conditions	Operation in experiment
57 mg	Stage #1: With sodium methylate In methanol for 2.5 h;	The Hex4perAc of 100mg was dissolved in 5mL of ΜeOΗ, then add 18mg, 0.3eq of CH3Ona. After stirring for 2.5 h in the greenhouse,Then add Dowex50Wx2 [H+] to neutralize. After filtering the resin, the solvent is removed under reduced pressure. The remaining portion was dissolved in H2O, Desalting by (Bio-Gel P-2Gel: 10 mL). After freeze drying, a white solid (57 mg) was obtained.

Reference： [1] Patent: CN103638162, 2016, B, . Location in patent: Paragraph 0056
[2] Molecules, 2018, vol. 23, # 2,

2
[ 7512-17-6 ]
[ 57-50-1 ]
[ 84039-32-7 ]
[ 470-69-9 ]
[ 13133-07-8 ]

Yield	Reaction Conditions	Operation in experiment
22.1%	With Aspergillus oryzae NBRC₁₀₀₉₅₉ mycelia In citrate buffer at 30℃; for 8 h; Enzymatic reaction	The hydrolytic activity of β-fructofuranosidase was assayed using sucrose as a substrate, and was monitored by measuring the amount of reducing sugar released from sucrose. The enzyme solution (50 μL) was added to 50 μL of 0.4percent sucrose in 20 mM Na citrate buffer (pH 5.5) and the mixture was incubated at 30 °C. After incubation, the enzymatic reaction was stopped by heating the sample at 95 °C for 5 min. The amount of reducing sugar in the reaction mixture was determined by the Somogyi-Nelson method using glucose as a standard.²² One unit (U) of enzyme activity was defined as the amount of enzyme required to hydrolyze 1 μmol of sucrose per minute under the assay conditions.

Reference： [1] Carbohydrate Research, 2012, vol. 353, p. 27 - 32

3
[ 57-50-1 ]
[ 57-48-7 ]
[ 59432-60-9 ]
[ 50-99-7 ]
[ 470-69-9 ]
[ 13133-07-8 ]

Yield	Reaction Conditions	Operation in experiment
29.89 %Chromat.	With Aspergillus flavus NFCCI 2364 culture filtrate In aq. buffer at 55℃; for 24 h; Microbiological reaction	General procedure: FOS production was carried out by adding 1ml of enzyme samples collected at various time intervals to 3ml of 50percent (w/v) sucrose dissolved in 0.1M citrate buffer (pH 5.5) for period of 24h at 55°C. The amount of FOS formation in the samples was analyzed by high performance liquid chromatography (HPLC, Waters) with sugar-pak column (6.5×300mm) and refractive index (RI) differential detector (RI 2414).
25.31 %Chromat.	With Aspergillus niger SI 19 culture filtrate In aq. buffer at 55℃; for 24 h; Microbiological reaction	General procedure: FOS production was carried out by adding 1ml of enzyme samples collected at various time intervals to 3ml of 50percent (w/v) sucrose dissolved in 0.1M citrate buffer (pH 5.5) for period of 24h at 55°C. The amount of FOS formation in the samples was analyzed by high performance liquid chromatography (HPLC, Waters) with sugar-pak column (6.5×300mm) and refractive index (RI) differential detector (RI 2414).

Reference： [1] Journal of Molecular Catalysis B: Enzymatic, 2013, vol. 97, p. 12 - 17
[2] Journal of Molecular Catalysis B: Enzymatic, 2013, vol. 97, p. 12 - 17

4
[ 57-50-1 ]
[ 57-48-7 ]
[ 50-99-7 ]
[ 470-69-9 ]
[ 13133-07-8 ]

Reference： [1] Journal of Molecular Catalysis B: Enzymatic, 2015, vol. 111, p. 51 - 55

5
[ 57-50-1 ]
[ 2280-44-6 ]
[ 470-69-9 ]
[ 13133-07-8 ]

Reference： [1] Tetrahedron Asymmetry, 2016, vol. 27, # 24, p. 1245 - 1252

6
[ 57-50-1 ]
[ 13133-07-8 ]

Reference： [1] Journal of Biological Chemistry, 1952, vol. 199, p. 217,219
[2] Bulletin of the Chemical Society of Japan, 1993, vol. 66, # 2, p. 374 - 379
[3] Carbohydrate Research, 2011, vol. 346, # 16, p. 2633 - 2637

7
[ 57-50-1 ]
[ 50-99-7 ]
[ 470-69-9 ]
[ 13133-07-8 ]

Reference： [1] Journal of Biotechnology, 2017, vol. 249, p. 25 - 33

8
[ 470-69-9 ]
[ 13101-54-7 ]
[ 13133-07-8 ]

Reference： [1] Bioscience, Biotechnology and Biochemistry, 2002, vol. 66, # 6, p. 1419 - 1422

9
[ 57-50-1 ]
[ 2280-44-6 ]
[ 59432-60-9 ]
[ 470-69-9 ]
[ 13133-07-8 ]

Reference： [1] Carbohydrate Research, 2008, vol. 343, # 1, p. 56 - 66

10
[ 57-50-1 ]
[ 57-48-7 ]
[ 50-99-7 ]
[ 56-81-5 ]
[ 470-69-9 ]
[ 13133-07-8 ]

Reference： [1] Journal of Agricultural and Food Chemistry, 2008, vol. 56, # 8, p. 2805 - 2809

11
[ 57-50-1 ]
[ 59432-60-9 ]
[ 50-99-7 ]
[ 470-69-9 ]
[ 13133-07-8 ]

Reference： [1] Journal of Biotechnology, 2017, vol. 249, p. 25 - 33
[2] Journal of Molecular Catalysis B: Enzymatic, 2012, vol. 76, p. 44 - 51

12
[ 59432-60-9 ]
[ 470-23-5 ]
[ 13133-07-8 ]

Reference： [1] Journal of Agricultural and Food Chemistry, 2003, vol. 51, # 1, p. 224 - 228

13
[ 57-50-1 ]
[ 492-62-6 ]
[ 470-23-5 ]
[ 470-69-9 ]
[ 13133-07-8 ]

Reference： [1] Journal of Agricultural and Food Chemistry, 2013, vol. 61, # 50, p. 12265 - 12273

14
[ 57-50-1 ]
[ 59432-60-9 ]
[ 137855-42-6 ]
[ 470-69-9 ]
[ 562-68-5 ]
[ 13133-07-8 ]

Reference： [1] Journal of Molecular Catalysis B: Enzymatic, 2014, vol. 109, p. 85 - 93

[ 13133-07-8 ] Synthesis Path-Downstream 1~28

1
[ 57-50-1 ]
[ 13133-07-8 ]

Reference： [1]Journal of Biological Chemistry,1952,vol. 199,p. 217,219
[2]Bulletin of the Chemical Society of Japan,1993,vol. 66,p. 374 - 379
[3]Carbohydrate Research,2011,vol. 346,p. 2633 - 2637

2
[ 108-24-7 ]
[ 13133-07-8 ]
[ 25101-99-9 ]

Reference： [1]Chemistry of Natural Compounds,1986,vol. 22,p. 135 - 140
Khimiya Prirodnykh Soedinenii,1986,vol. 22,p. 146 - 151

3
[ 67-68-5 ]
[ 13133-07-8 ]
[ 1139-97-5 ]
[ 110359-36-9 ]
[ 1209-40-1 ]

Reference： [1]Chemistry of Natural Compounds,1986,vol. 22,p. 135 - 140
Khimiya Prirodnykh Soedinenii,1986,vol. 22,p. 146 - 151

4
[ 13133-07-8 ]
[ 6347-01-9 ]

Reference： [1]Bioscience, Biotechnology and Biochemistry,1992,vol. 56,p. 1443 - 1447

5
[ 13133-07-8 ]
[ 74-88-4 ]
C₃₈H₇₀O₂₁ [ No CAS ]

Reference： [1]Journal of Carbohydrate Chemistry,1997,vol. 16,p. 1145 - 1158

8
[ 470-69-9 ]
[ 13101-54-7 ]
[ 13133-07-8 ]
O-β-D-fructofuranosyl-(2->1)-O-β-D-fructofuranosyl-(2->1)-O-[β-D-galactopyranosyl-(1->4)]-α-D-glucopyranoside [ No CAS ]
O-β-D-fructofuranosyl-(2->1)-O-β-D-fructofuranosyl-(2->1)-O-β-D-fructofuranosyl-(2->1)-O-[β-D-galactopyranosyl-(1->4)]-α-D-glucopyranoside [ No CAS ]

Reference： [1]Bioscience, Biotechnology and Biochemistry,2002,vol. 66,p. 1419 - 1422

9
[ 13133-07-8 ]
[ 59-56-3 ]
2-α-D-glucosyl nystose [ No CAS ]
2(2-α-D-glucosyl)₂ nystose [ No CAS ]

Reference： [1]Carbohydrate Research,2003,vol. 338,p. 879 - 885

10
[ 59432-60-9 ]
[ 470-23-5 ]
[ 13133-07-8 ]

Reference： [1]Journal of Agricultural and Food Chemistry,2003,vol. 51,p. 224 - 228

11
[ 13133-07-8 ]
[ 470-23-5 ]
[ 470-69-9 ]

Reference： [1]Journal of Agricultural and Food Chemistry,2003,vol. 51,p. 224 - 228

12
[ 57-50-1 ]
[ 2280-44-6 ]
[ 59432-60-9 ]
[ 470-69-9 ]
[ 13133-07-8 ]

Reference： [1]Carbohydrate Research,2008,vol. 343,p. 56 - 66

13
[ 100-39-0 ]
[ 13133-07-8 ]
3,4,6-tri-O-benzyl-1-O-[3,4,6-tri-O-benzyl-1-O-(1,3,4,6-tetra-O-benzyl-β-D-fructofuranosyl)-β-D-fructofuranosyl]-β-D-fructofuranosyl 2,3,4,6-tetra-O-benzyl-α-D-glucopyranoside [ No CAS ]

Reference： [1]Carbohydrate Research,2008,vol. 343,p. 1366 - 1372

14
inulin [ No CAS ]
[ 67-47-0 ]
[ 57-48-7 ]
[ 59432-60-9 ]
[ 50-99-7 ]
[ 81129-73-9 ]
[ 470-69-9 ]
[ 13133-07-8 ]

Yield	Reaction Conditions	Operation in experiment
	With water;phosphoric acid; at 50 - 95℃; for 0.25 - 0.75h;pH 1.75 - 3.75;	Figure 4, from a second laboratorial work, is a TLC - Thin Layer Chromatography on silicagel 60 (Merck) developed with the mixture isopropanol : ethyl acetate : water 5:1 :2 as mobile phase and with partial runs of 1/3, 2/3, and 3/3 of the front line and developed with orcinol : sulfuric acid : methanol at 1000C for 5 minutes. This figure illustrates the profile of FOS - Fructooligosaccharides when one hydrolyzes purified inulin from dahlia roots (5g%) with phosphoric acid at pH = 2.5 at 850C during 15 minutes (15), 30 minutes (30), and 45 minutes (45), indicating that the modulation of a single kinetic parameter - time of hydrolysis - already allows to govern the quantitative relation of FOS > fructose (cases 15 and 30) or the opposite (FOS < fructose; 45). A similar strategy for FOS > fructose may also be governed by the other parameters (pH itself or temperature of hydrolysis), as shown for hydrolysis of inulin with phosphoric or citric acids at pHs from 1.75 to 3.75 in the range of 5O0C to 95oC (as better explained in Figure 5). In Figure 4, (f) and (g) denotes for free fructose and glucose, respectively. GP refers to the Degree of Polymerization. It is remarkable that phosphoric or citric hydrolyses of inulin may be effectively addressed <n="27"/>to the preferential preparation of FOS - Fructooligosaccharides since when addressed to a higher fructose content (lane 45), some amount of the co-product HMF - hydroxymethylfurfural turns clearly visible in the front zone of the chromatogram. Its companion spot most probably is a DFA (difructose anhydride).; Figure 5 is a bar graphic comparing the effect of the kinetic parameters such as temperature and time of hydrolysis once fixed the hidrogenionic potential at pH = 2.5 and their respective capacities for the modulation on the qualitative nature of the products from the hydrolyses of dahlia inulin with phosphoric or citric acids when the substrate is used at a concentration of 5g%. According to the intended innovation in this patent request - the preferential production of FOS or FrutoOligoSaccharides - is obviously that, for each range of temperature, namely, 750C, 850C ou 950C, either in the phosphoric or in the citric hydrolyses, the formation of FOS is preferential in (8x2 =) 16 assays, except for those two - at 950C and during 25 minutes - where fructose shows predominance with respect to FOS. Incidentally, those two exceptional conditions - which are not the scope of this patent request - also led to the formation of some HMF - hydroxymethylfurfural - undesirable in a inulin hydrolysis, with the attenuating condition that a less expensive practice as activated charcoal is able to remove the contaminant HMF. Concerning the reaction yield reported to the initial inulin input, the diluted phosphoric acid guarantees in the times of 25 min at 850C and of 15 min at 950C percentages of hydrolyses up to 80%, being the most of the products - 76% and 63%, respectively - FOS or frutooligosaccharides and being the remaining fructose since HMF is no longer detected under these conditions of hydrolysis. The same approach is attained with citric acid although with somewhat reduced yields - 64% or 76%, but even so FOS correspond to 78% and 74% of the hydrolysis products.; Figure 6 derives from another practical example of laboratory work, namely a high performance liquid chromatography or HPLC in a column of 10 micra microparticles of silica gel derivatized with amino groups and provided by Spectraphysics. Twenty microliters of a citric hydrolyzate of inulin at 10% obtained at pH 2.5 during 5 or 15 minutes at 850C were applied to the column and elution proceeded with 70% acetonitrile at a 1 mL/min flow rate and the monitoring was carried out with DRI- differential refraction index. It is shown that in both conditions <n="28"/>- 5 and 15 minutes - inulin is converted, by citric acid, into a family of FOS - FructoOligoSaccharides with DP - Degree of Polymerization - 3 to 18 or more (considering the analytical capacity of the referred column), still emphazing that fructose, with respect to FOS concentration, contributes with a maximum of 25% and a minimum of 5%.; Figure 7, resulting from another practical laboratory work, is also - like Figure 6 - a HPLC but carried out with samples arising from phosphoric acid hydrolyses under the same conditions of those described in Figure 6. The qualitative profiles for FOS are quite similar in both figures. In 8 of 9 assays, FOS predominates. In the nineth - 25 minutes of hydrolysis at higher temperature - FOS and fructose contents are more or less equivalent.

Reference： [1]Patent: WO2009/6715,2009,A2 .Location in patent: Page/Page column 25-27

15
inulin [ No CAS ]
[ 67-47-0 ]
[ 57-48-7 ]
[ 59432-60-9 ]
[ 81129-73-9 ]
[ 470-69-9 ]
[ 13133-07-8 ]

Yield	Reaction Conditions	Operation in experiment
	With water;citric acid; at 50 - 95℃; for 0.25 - 0.75h;pH 1.75 - 3.75;	Figure 4, from a second laboratorial work, is a TLC - Thin Layer Chromatography on silicagel 60 (Merck) developed with the mixture isopropanol : ethyl acetate : water 5:1 :2 as mobile phase and with partial runs of 1/3, 2/3, and 3/3 of the front line and developed with orcinol : sulfuric acid : methanol at 1000C for 5 minutes. This figure illustrates the profile of FOS - Fructooligosaccharides when one hydrolyzes purified inulin from dahlia roots (5g%) with phosphoric acid at pH = 2.5 at 850C during 15 minutes (15), 30 minutes (30), and 45 minutes (45), indicating that the modulation of a single kinetic parameter - time of hydrolysis - already allows to govern the quantitative relation of FOS > fructose (cases 15 and 30) or the opposite (FOS < fructose; 45). A similar strategy for FOS > fructose may also be governed by the other parameters (pH itself or temperature of hydrolysis), as shown for hydrolysis of inulin with phosphoric or citric acids at pHs from 1.75 to 3.75 in the range of 5O0C to 95oC (as better explained in Figure 5). In Figure 4, (f) and (g) denotes for free fructose and glucose, respectively. GP refers to the Degree of Polymerization. It is remarkable that phosphoric or citric hydrolyses of inulin may be effectively addressed <n="27"/>to the preferential preparation of FOS - Fructooligosaccharides since when addressed to a higher fructose content (lane 45), some amount of the co-product HMF - hydroxymethylfurfural turns clearly visible in the front zone of the chromatogram. Its companion spot most probably is a DFA (difructose anhydride).; Figure 5 is a bar graphic comparing the effect of the kinetic parameters such as temperature and time of hydrolysis once fixed the hidrogenionic potential at pH = 2.5 and their respective capacities for the modulation on the qualitative nature of the products from the hydrolyses of dahlia inulin with phosphoric or citric acids when the substrate is used at a concentration of 5g%. According to the intended innovation in this patent request - the preferential production of FOS or FrutoOligoSaccharides - is obviously that, for each range of temperature, namely, 750C, 850C ou 950C, either in the phosphoric or in the citric hydrolyses, the formation of FOS is preferential in (8x2 =) 16 assays, except for those two - at 950C and during 25 minutes - where fructose shows predominance with respect to FOS. Incidentally, those two exceptional conditions - which are not the scope of this patent request - also led to the formation of some HMF - hydroxymethylfurfural - undesirable in a inulin hydrolysis, with the attenuating condition that a less expensive practice as activated charcoal is able to remove the contaminant HMF. Concerning the reaction yield reported to the initial inulin input, the diluted phosphoric acid guarantees in the times of 25 min at 850C and of 15 min at 950C percentages of hydrolyses up to 80%, being the most of the products - 76% and 63%, respectively - FOS or frutooligosaccharides and being the remaining fructose since HMF is no longer detected under these conditions of hydrolysis. The same approach is attained with citric acid although with somewhat reduced yields - 64% or 76%, but even so FOS correspond to 78% and 74% of the hydrolysis products.; Figure 6 derives from another practical example of laboratory work, namely a high performance liquid chromatography or HPLC in a column of 10 micra microparticles of silica gel derivatized with amino groups and provided by Spectraphysics. Twenty microliters of a citric hydrolyzate of inulin at 10% obtained at pH 2.5 during 5 or 15 minutes at 850C were applied to the column and elution proceeded with 70% acetonitrile at a 1 mL/min flow rate and the monitoring was carried out with DRI- differential refraction index. It is shown that in both conditions <n="28"/>- 5 and 15 minutes - inulin is converted, by citric acid, into a family of FOS - FructoOligoSaccharides with DP - Degree of Polymerization - 3 to 18 or more (considering the analytical capacity of the referred column), still emphazing that fructose, with respect to FOS concentration, contributes with a maximum of 25% and a minimum of 5%.

Reference： [1]Patent: WO2009/6715,2009,A2 .Location in patent: Page/Page column 25-27

16
[ 57-50-1 ]
[ 57-48-7 ]
[ 50-99-7 ]
[ 56-81-5 ]
[ 470-69-9 ]
[ 13133-07-8 ]

Reference： [1]Journal of Agricultural and Food Chemistry,2008,vol. 56,p. 2805 - 2809

17
[ 57-50-1 ]
[ 59432-60-9 ]
[ 50-99-7 ]
[ 470-69-9 ]
[ 13133-07-8 ]

Reference： [1]Journal of Biotechnology,2017,vol. 249,p. 25 - 33
[2]Journal of Molecular Catalysis B: Enzymatic,2012,vol. 76,p. 44 - 51

18
[ 7512-17-6 ]
[ 57-50-1 ]
[ 84039-32-7 ]
[ 470-69-9 ]
[ 13133-07-8 ]

Yield	Reaction Conditions	Operation in experiment
22.1%	With Aspergillus oryzae NBRC100959 mycelia; In citrate buffer; at 30℃; for 8h;pH 5.5;Enzymatic reaction;	The hydrolytic activity of beta-fructofuranosidase was assayed using sucrose as a substrate, and was monitored by measuring the amount of reducing sugar released from sucrose. The enzyme solution (50 muL) was added to 50 muL of 0.4% sucrose in 20 mM Na citrate buffer (pH 5.5) and the mixture was incubated at 30 C. After incubation, the enzymatic reaction was stopped by heating the sample at 95 C for 5 min. The amount of reducing sugar in the reaction mixture was determined by the Somogyi-Nelson method using glucose as a standard.22 One unit (U) of enzyme activity was defined as the amount of enzyme required to hydrolyze 1 mumol of sucrose per minute under the assay conditions.

Reference： [1]Carbohydrate Research,2012,vol. 353,p. 27 - 32

19
[ 57-50-1 ]
[ 57-48-7 ]
[ 59432-60-9 ]
[ 50-99-7 ]
[ 470-69-9 ]
[ 13133-07-8 ]

Yield	Reaction Conditions	Operation in experiment
8.25%Chromat.; 29.89%Chromat.; 25.26%Chromat.	With Aspergillus flavus NFCCI 2364 culture filtrate; In aq. buffer; at 55℃; for 24h;pH 5.5;Microbiological reaction;	General procedure: FOS production was carried out by adding 1ml of enzyme samples collected at various time intervals to 3ml of 50% (w/v) sucrose dissolved in 0.1M citrate buffer (pH 5.5) for period of 24h at 55C. The amount of FOS formation in the samples was analyzed by high performance liquid chromatography (HPLC, Waters) with sugar-pak column (6.5×300mm) and refractive index (RI) differential detector (RI 2414).
5.94%Chromat.; 23.74%Chromat.; 25.31%Chromat.	With Aspergillus niger SI 19 culture filtrate; In aq. buffer; at 55℃; for 24h;pH 5.5;Microbiological reaction;	General procedure: FOS production was carried out by adding 1ml of enzyme samples collected at various time intervals to 3ml of 50% (w/v) sucrose dissolved in 0.1M citrate buffer (pH 5.5) for period of 24h at 55C. The amount of FOS formation in the samples was analyzed by high performance liquid chromatography (HPLC, Waters) with sugar-pak column (6.5×300mm) and refractive index (RI) differential detector (RI 2414).

Reference： [1]Journal of Molecular Catalysis B: Enzymatic,2013,vol. 97,p. 12 - 17
[2]Journal of Molecular Catalysis B: Enzymatic,2013,vol. 97,p. 12 - 17

20
[ 57-50-1 ]
[ 492-62-6 ]
[ 470-23-5 ]
[ 470-69-9 ]
[ 13133-07-8 ]

Reference： [1]Journal of Agricultural and Food Chemistry,2013,vol. 61,p. 12265 - 12273

21
[ 57-50-1 ]
[ 59432-60-9 ]
levanohexaose [ No CAS ]
[ 137855-42-6 ]
[ 470-69-9 ]
[ 562-68-5 ]
[ 13133-07-8 ]

Reference： [1]Journal of Molecular Catalysis B: Enzymatic,2014,vol. 109,p. 85 - 93

22
[ 57-50-1 ]
[ 57-48-7 ]
[ 50-99-7 ]
[ 470-69-9 ]
[ 13133-07-8 ]

Yield	Reaction Conditions	Operation in experiment
	With Viscozyme L (-fructosyltransferase) immobilized on chitosan spheres; In aq. acetate buffer; at 50℃;pH 4.5;Flow reactor;	Production of invert sugar was carried using a solution of sucrose150 g/L diluted in 50 mM sodium acetate buffer pH 4.5. The solu-tion was pumped at flow rates of (0.5, 1.0, 1.5, 2.0, 2.5, 3.0, 3.5, 4.0,4.7) mL/min in both fluidized and packed bed reactors. Four bed vol-umes of solution were passed through the column before taking the sample to achieve stationary state. These experiments were carriedout in duplicate, changing the column bed at each experiment

Reference： [1]Journal of Molecular Catalysis B: Enzymatic,2015,vol. 111,p. 51 - 55

23
[ 57-50-1 ]
[ 2280-44-6 ]
[ 470-69-9 ]
[ 13133-07-8 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium dihydrogenphosphate; citric acid; In water; at 37℃; for 24h;pH 7.0;Microbiological reaction;Kinetics;	Transfructosylation reactions were carried out using uninduced,inulin-induced and sucrose-induced cells in a reaction volumeof 5 ml. The reaction mixture contained 100 mg lyophilizedcells and 10% (w/v) sucrose in 5 ml phosphate citrate buffer (pH7.0). The mixture was incubated at 37 C for 24 h at 220 rpm in areciprocating shaker (SI-300R Jeo Tech). At the end of the reaction,cells were separated out by centrifugation and the vials heated in aboiling water bath. The clear supernatant was analysed for residualsucrose, glucose and synthesized fructo-oligosaccharides

Reference： [1]Tetrahedron Asymmetry,2016,vol. 27,p. 1245 - 1252

24
[ 57-50-1 ]
[ 50-99-7 ]
[ 470-69-9 ]
[ 13133-07-8 ]

Reference： [1]Journal of Biotechnology,2017,vol. 249,p. 25 - 33

25
[ 25101-99-9 ]
[ 13133-07-8 ]

Yield	Reaction Conditions	Operation in experiment
57 mg		The Hex4perAc of 100mg was dissolved in 5mL of MueOEta, then add 18mg, 0.3eq of CH3Ona. After stirring for 2.5 h in the greenhouse,Then add Dowex50Wx2 [H+] to neutralize. After filtering the resin, the solvent is removed under reduced pressure. The remaining portion was dissolved in H2O, Desalting by (Bio-Gel P-2Gel: 10 mL). After freeze drying, a white solid (57 mg) was obtained.
	With sodium methylate; In methanol; at 20℃;	General procedure: The purified acetylated FOSs were reduced by the following method [24]. The target compoundswere added to a round-bottom flask while dissolved in MeOH. NaOMe (2 g, 0.037 mol) was added in asingle portion and stirred at room temperature for 1 hour. After stirring for 20 min, the reactionwas neutralized with Dowex 50WX8 (H+ form) and then filtered. The resulting solution wasconcentrated under reduced pressure till thick oil was obtained. Purification by Sephadex LH-20column chromatography (eluting with methanol) afforded the target compounds as white powder.

Reference： [1]Patent: CN103638162,2016,B .Location in patent: Paragraph 0056
[2]Molecules,2018,vol. 23

26
fructooligosaccharide [ No CAS ]
[ 59432-60-9 ]
kestose [ No CAS ]
[ 13133-07-8 ]

Yield	Reaction Conditions	Operation in experiment
		(3) to acetyl: separation of the acetylation kestose chitosan monomer are respectively dissolved in methanol in a round-bottom flask, then adding of a catalytic amount of sodium methoxide at room temperature reaction 1 hours, adding acid resin to solution is clarified, filtering, reduced pressure evaporation to obtain kestose, kestose saccharide and kestose five sugar. (4) the kestose, kestose saccharide and kestose five sugar Sephadex LH - 20 respectively through purification, eluting agent is methanol, collecting the target compound, concentrated under reduced pressure, to obtain three high-purity kestose chitosan.

Reference： [1]Patent: CN104892690,2017,B .Location in patent: Paragraph 0038-0042

27
inulin [ No CAS ]
[ 57-48-7 ]
[ 59432-60-9 ]
[ 62512-19-0 ]
[ 470-69-9 ]
[ 13133-07-8 ]
[ 57-50-1 ]

Yield	Reaction Conditions	Operation in experiment
	With water; Bacillus sp. 11/3 inulinase polyacrylamide/polyethylene glycol composite immobilised In aq. acetate buffer at 40℃; for 24h; Enzymatic reaction;

Reference： [1]Temkov, Mishela; Dimitrovski, Darko; Velickova, Elena; Krastanov, Albert [Biocatalysis and Biotransformation, 2022, vol. 40, # 1, p. 50 - 63]

28
[ 57-50-1 ]
[ 57-48-7 ]
[ 50-99-7 ]
[ 138809-77-5 ]
[ 470-69-9 ]
[ 562-68-5 ]
[ 13133-07-8 ]

Yield	Reaction Conditions	Operation in experiment
	With recombinant GH₆₈ levansucrase, N₈₄H/S₃₄₅A mutant In aq. buffer at 35℃; for 24h; Enzymatic reaction;	Late transfructosylation at 1 h and 24 h General procedure: For the qualitative analysis of the products of the transfructosylationof FFZm, LSZm, and their variants using 1.0 Msucrose, the reaction was performed at 35 C and pH 5.0 for upto 24 h in 30 mM sodium acetate buffer (pH 5.0). The[enzyme] was 0.03 μM (FFZm), 0.34 μM (LSZm), 0.13 μM(H79N-FFZm), 1.3 μM (A343S-FFZm), 0.64 μM (H79N/A343S-FFZm), 0.44 μM (H79N/L187F/A343S-FFZm),0.38 μM (N84H-LSZm), 0.24 μM (S345A-LSZm), or 0.26 μM(N84H/S345A-LSZm). At 1 and 24 h, a part of the reactionmixture was recovered, heated at 100 C for 3 min to terminatethe reaction, and diluted to 100-1 with 10 mM sorbitol ofinternal standard. The reaction products were analyzed byHPAEC-PAD. Resultant reaction samples at 1 h and 24 h wereanalyzed by methods A and B, respectively.For investigating the changes in the long LVO productionof LSZm, H79N/A343S-FFZm and H79N/L187F/A343SFFZm,we incubated each enzyme with different [sucrose]bearing 0.05, 0.1, 0.2, 0.4, 0.6, 0.8, or 1 M at 35 C and pH 5.0for 24 h in 40 mM sodium acetate buffer (pH 5.0), followedby heating at 100 C for 3 min. The reaction mixture wasdiluted with sorbitol solution and analyzed by HPAEC-PADusing method B. For the Fru-Man synthesis, the reaction of FFZm (2.2 μM),LSZm (16 μM), H79N-FFZm (2.4 μM), A343S-FFZm (5.8 μM),H79N/A343S-FFZm (9.3 μM), N84H-LSZm (2.7 μM), S345ALSZm(6.8 μM), or N84H/S345A-LSZm (2.6 μM) was performedwith 0.5 M sucrose and 1.0 M mannose at 35 C andpH 5.0 for 24 h, and was subsequently terminated by heating at100 C for 3 min. A sample for HPAEC-PAD analysis usingmethod A was prepared by 100-1-dilution of reaction mixturewith 10 mM sorbitol.

Reference： [1]Kikuchi, Asako; Kimura, Atsuo; Lang, Weeranuch; Okuyama, Masayuki; Sadahiro, Juri; Serizawa, Ryo; Tagami, Takayoshi; Tanuma, Masanari [Journal of Biological Chemistry, 2021, vol. 296]

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P342	If experiencing respiratory symptoms:
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P378
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P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
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H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
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H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
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H226	Flammable liquid and vapour
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H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
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H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
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Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
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H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
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H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
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H336	May cause drowsiness or dizziness
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H341	Suspected of causing genetic defects
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H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 13133-07-8 ] {[proInfo.proName]}

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[ 13133-07-8 ] Synthesis Path-Upstream 1~14

[ 13133-07-8 ] Synthesis Path-Downstream 1~28

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