[ CAS No. 585-88-6 ] {[proInfo.proName]}

Name: 585-88-6|(2S,3R,4R,5R)-4-(((2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexane-1,2,3,5,6-pentaol|95%
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Quality Control of [ 585-88-6 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 585-88-6 ]

Product Details of [ 585-88-6 ]

CAS No. :	585-88-6	MDL No. :	MFCD00006600
Formula :	C₁₂H₂₄O₁₁	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	VQHSOMBJVWLPSR-WUJBLJFYSA-N
M.W :	344.31	Pubchem ID :	493591
Synonyms :	Maltisorb;4-O-α-glucopyranosyl-D-sorbitol	Chemical Name :	(2S,3R,4R,5R)-4-(((2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexane-1,2,3,5,6-pentaol

Calculated chemistry of [ 585-88-6 ]

Physicochemical Properties

Num. heavy atoms :	23
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	8
Num. H-bond acceptors :	11.0
Num. H-bond donors :	9.0
Molar Refractivity :	70.31
TPSA :	200.53 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) :	-12.1 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.39
Log Po/w (XLOGP3) :	-5.21
Log Po/w (WLOGP) :	-5.76
Log Po/w (MLOGP) :	-4.77
Log Po/w (SILICOS-IT) :	-3.59
Consensus Log Po/w :	-3.79

Druglikeness

Lipinski :	2.0
Ghose :	None
Veber :	1.0
Egan :	1.0
Muegge :	4.0
Bioavailability Score :	0.17

Water Solubility

Log S (ESOL) :	1.84
Solubility :	23600.0 mg/ml ; 68.5 mol/l
Class :	Highly soluble
Log S (Ali) :	1.64
Solubility :	15200.0 mg/ml ; 44.1 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	4.2
Solubility :	5510000.0 mg/ml ; 16000.0 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	5.37

Safety of [ 585-88-6 ]

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

Application In Synthesis of [ 585-88-6 ]

* 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.

Downstream synthetic route of [ 585-88-6 ]

[ 585-88-6 ] Synthesis Path-Downstream 1~24

1
[ 108-24-7 ]
[ 585-88-6 ]
[ 41897-24-9 ]

Reference： [1]Journal of the American Chemical Society,1940,vol. 62,p. 2553

2
[ 77-78-1 ]
[ 585-88-6 ]
[ 74-88-4 ]
[ 29923-18-0 ]

Reference： [1]Journal of the American Chemical Society,1943,vol. 65,p. 750

3
[ 133-99-3 ]
[ 585-88-6 ]

Reference： [1]Journal of the American Chemical Society,1951,vol. 73,p. 4691
[2]Helvetica Chimica Acta,1937,vol. 20,p. 86,88
[3]Journal of the American Chemical Society,1940,vol. 62,p. 2553
[4]Advanced Synthesis and Catalysis,2008,vol. 350,p. 829 - 836

4
[ 133-99-3 ]
[ 909878-64-4 ]
[ 488-82-4 ]
[ 50-70-4 ]
[ 122795-46-4 ]
[ 63699-83-2 ]
[ 585-88-6 ]

Reference： [1]Carbohydrate Research,1988,vol. 173,p. 89 - 100

5
[ 56180-94-0 ]
[ 585-88-6 ]
4-{5-[3,4-dihydroxy-6-methyl-5-(4,5,6-trihydroxy-3-hydroxymethyl-cyclohex-2-enylamino)-tetrahydro-pyran-2-yloxy]-3,4-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy}-hexane-1,2,3,5,6-pentaol [ No CAS ]
4-(6-{5-[3,4-dihydroxy-6-methyl-5-(4,5,6-trihydroxy-3-hydroxymethyl-cyclohex-2-enylamino)-tetrahydro-pyran-2-yloxy]-3,4-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxymethyl}-3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy)-hexane-1,2,3,5,6-pentaol [ No CAS ]

Reference： [1]Carbohydrate Research,1998,vol. 313,p. 235 - 246
[2]Carbohydrate Research,1998,vol. 313,p. 235 - 246

Yield	Reaction Conditions	Operation in experiment
		The invention is all the more surprising and unexpected insofar as no activity has been found for products of structures close to the selected products, i.e.: ... galactobiose (galactose-galactose, beta 1-6) turanose (glucose-fructose, alpha 1-3) maltitol (glucose-sorbitol, alpha 1-4) raffinose (galactose-glucose-fructose, alpha 1-6, alpha 1-2).
		(4) The maltitol magma obtained was matured in the same manner as in Example 1 - (4) except that maturing was conducted under a condition at 70 C. for 15 minutes.
		(4) The maltitol magma obtained was matured in the same manner as in Example 1 - (4) except that maturing was conducted under a condition at 60 C. for 30 minutes.

		(4) The maltitol magma obtained was matured in the same manner as in Example 1-(4) except that maturing was conducted under a condition at 70 C. for 15 minutes.
		(4) The maltitol magma obtained was matured in the same manner as in Example 1-(4) except that maturing was conducted under a condition at 60 C. for 30 minutes.
	at 43 - 70℃;Purification / work up;	EXAMPLE 2 Crystallization of syrup D of Example 1 (84% dry matter content) was carried out in an evapocrystallizer cooled by adiabatic evaporation.The vapours were condensed continuously and re-incorporated.The residence time was 5 hours, which meant that the temperature of syrup D, initially fixed at 70 C., could be reduced as described in Example 1 to a temperature of 50 C.The massecuite was then cooled from a temperature of 50 C. to 43 C. over 15 hours in a continuous crystallizer.A mother liquor was obtained which, for a dry matter content of 72%, had a composition of:65% over dry matter maltitol;13% over dry matter sorbitol;18% over dry matter with hydrogenated DP 3;4% of cracking products.The crystalline composition obtained contained 98.1% over dry matter of maltitol, 0.1% over dry matter of sorbitol and 2.3% over dry matter of hydrogenated DP 3.These crystallization conditions meant that crystalline shapes could be obtained which were mainly of the rectangular parallelepipedal type, as shown in FIGS. 2 to 5.
		Soybean polysaccharide (SM700, product of SAN-EI GEN F.F.I. Co.) Trehalose (Trehalose Micro, product of Hayashibara Shoji Co.) Maltodextrin (Max 2000, product of Matsutani Chemical Co.) Erythritol (Erythritol, product of Nikken Chemicals) Maltitol (Resis, product of Towa Kasei Kogyo K.K.)

8
[ 585-88-6 ]
2-((2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-malonaldehyde [ No CAS ]

Reference： [1]Bioscience, Biotechnology and Biochemistry,2000,vol. 64,p. 378 - 385

9
[ 64-17-5 ]
[ 585-88-6 ]
[ 3198-49-0 ]

Reference： [1]Bioscience, Biotechnology and Biochemistry,2002,vol. 66,p. 2415 - 2423

10
[ 585-88-6 ]
[ 2280-44-6 ]

Reference： [1]Bioscience, Biotechnology and Biochemistry,2002,vol. 66,p. 2415 - 2423

11
[ 1095-85-8 ]
[ 585-88-6 ]
[ 867197-65-7 ]

Reference： [1]European Journal of Organic Chemistry,2005,p. 3650 - 3659

12
[ 585-88-6 ]
[ 22160-26-5 ]

Reference： [1]Bioscience, Biotechnology and Biochemistry,2000,vol. 64,p. 378 - 385

Yield	Reaction Conditions	Operation in experiment
	With alpha-isomaltosylglucosaccharide-forming enzyme; at 30℃; for 24.0h;pH 6;Reactivity (does not react);	It was tested whether the following saccharides could be used as substrates for alpha-isomaltosylglucosaccharide-forming enzyme. For the purpose, a solution of maltose, maltotriose, maltotetraose, maltopentaose, maltohexaose, maltoheptaose, isomaltose, isomaltotriose, panose, isopanose, alpha,alpha-trehalose, kojibiose, nigerose, neotrehalose, cellobiose, gentibiose, maltitol, maltotriitol, lactose, sucrose, erlose, selaginose, maltosyl glucoside, or isomaltosyl glucoside was prepared. To each of the above solutions was added two units/g substrate of a purified specimen of alpha-isomaltosylglucosaccharide-forming enzyme from either Bacillus globisporus C9 strain obtained by the method in Experiment 4-2, or Bacillus globisporus C11 strain obtained by the method in Experiment 7-2, and the resulting solutions were adjusted to give a substrate concentration of 2% (w/v) and incubated at 30 C. and pH 6.0 for 24 hours. The enzyme solutions before and after the enzymatic reactions were respectively analyzed on TLC disclosed in Experiment 1 to confirm whether the enzymes act on these substrates. The results are in Table 11. TABLE 11 Enzymatic action Enzymatic action Enzyme of Enzyme of Enzyme of Enzyme of Substrate C9 strain C11 strain Substrate C9 strain C11 strain Maltose + + Nigerose + + Maltotriose ++ ++ Neotrehalose + + Maltotetraose +++ +++ Cellobiose - - Maltopentaose +++ +++ Gentibiose - - Maltohexaose +++ +++ Maltitol - - Maltoheptaose +++ +++ Maltotriitol + + Isomaltose - - Lactose - - Isomaltotriose - - Sucrose - - Panose - - Erlose + + Isopanose ++ ++ Selaginose - - alpha,alpha-Trehalose - - Maltosylglucoside ++ ++ Kojibiose + + Isomaltosylglucoside - - Note: Before and after the enzymatic reaction, the symbols ?-?, ?+?, ?++?, and ?+++? mean that it showed no change, it showed a slight reduction of the color of substrate spot and the formation of other reaction product, it showed a high reduction of the color of substrate No.spot and the formation of other reaction product, and it showed a substantial disappearance of the color of substrate spot and the formation of other reaction product, respectively. As evident from Table 11, it was revealed that the alpha-isomaltosylglucosaccharide-forming enzyme well acted on saccharides having a glucose polymerization degree of at least three and having a maltose structure at their non-reducing ends, among the saccharides tested. It was also found that the enzyme slightly acted on saccharides, having a glucose polymerization degree of two, such as maltose, kojibiose, nigerose, neotrehalose, maltotriitol, and erlose.
	With water; calcium chloride;CMM-forming enzyme; at 40℃; for 24.0h;pH 6.0;Aqueous acetate buffer; Enzymatic reaction;Reactivity (does not react);	Substrate specificity of CMM-forming enzyme of the present invention was investigated using various saccharides as substrates. Substrate solutions were prepared by dissolving maltose, maltotriose, maltotetraose, maltopentaose, maltohexaose, maltoheptaose, neotrehalose, trehalose, kojibiose, nigerose, isomaltose, isomaltotriose, panose, isopanose, maltitol, maltotriitol, alpha-, beta-, or gamma-cyclodextrin, amylose, soluble starch, glycogen, pullulan or dextran into water. Each substrate solution was admixed with acetate buffer (pH 6.0) and CaCl2 to give final concentrations of 20 mM and 1 mM, respectively. Then, each resulting substrate solution was further admixed with one unit/g-substrate, on a dry solid basis, of the purified preparation of CMM-forming enzyme, obtained by the method in Experiment 4. Substrate concentration was set to 2% (w/v) and followed by the enzyme reaction at 40C and pH 6.0 for 24 hours. Action and the specificity of the enzyme on these saccharides were confirmed by analyzing the reaction mixture before and after the reaction by TLC described in Experiment 1. The results are in Table 5; As is evident from the results in Table 5, CMM-forming enzyme of the present invention acts on maltotetraose, maltopentaose, maltohexaose, and maltoheptaose, and slightly on maltotriose among saccharides tested. Further, CMM-forming enzyme of the present invention acts on amylose, starch, and glycogen. From the results, it was revealed that the enzyme acted on alpha-1,4 glucans having a glucose polymerization degree of 3 or higher.
		Example 2; a) A tank is filled with Maltitol syrup at ca. 96% purity (C* Maltidex H 16330, Cargill); dry substance = 45% b) NaOH solution was added, (NaOH = 0.2% on db (dry base); pH >10.5 c) Followed by flowing through an heat exchanger (T=80C), and d) Flowing through the column with the anionic resin BVH=0.5 (Bed volume/hour) The results are displayed in Table 2.Table 2Flow: 0.5BVH Temp=80C

Comparative example - Continuous process without feed of NaOH; a) A tank was filled with Maltitol syrup at ca. 96% purity (C* Maltidex H 16330, Cerestar); the dry substance of the maltitol syrup was 45% b) The syrup was flowing through an heat exchanger (T=80C), followed by c) Flowing through the column with the anionic resin MSA-I , at a B VH=O.5 (Bed volume/hour).The treatment had to be stopped after 3.3 days (79 hrs), as the R.S-value remained the same as the R. S value of the maltitol feed.

14
[ 585-88-6 ]
maltitol phosphate disodium salt [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In water;	Namely, the procedure of the above Synthetic Example 1 was repeated except that 50 g of maltitol was dissolved in 200 ml of water. Thus 45 g of purified maltitol phosphate disodium salt was obtained.

Reference： [1]Patent: US5409705,1995,A

15
[ 133-99-3 ]
[ 50-70-4 ]
[ 585-88-6 ]

Reference： [1]Advanced Synthesis and Catalysis,2008,vol. 350,p. 829 - 836

16
[ 585-88-6 ]
[ 57-50-1 ]
[ 109785-33-3 ]
[ 25466-16-4 ]

Reference： [1]ChemCatChem,2013,vol. 5,p. 2288 - 2295

17
[ 108-24-7 ]
[ 585-88-6 ]
C₂₈H₄₀O₁₉ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
93%	With iodine; at 50℃; for 0.166667h;Microwave irradiation;	General procedure: To a 10.0 mL round bottom flask, D-glucose (2.0 mmol) and acetic anhydride (12.0 mmol, 1.2 equiv. per OH) in the IL400 (2.0mL) was added I2 (0.05 mmol) at room temperature. Then themixture was heated to 50 C under MW irradiation (200 W) until the TLC analysis showed that the reaction was complete.Then the reaction mixture was cooled to room temperature,and toluene (2.0 mL × 3) was added. The mixture was vigorously stirred for several minutes and then kept stationary. The upper toluene layer containing the product was collected. Toluene was removed by a rotary evaporator, and the crude product was purified by recrystallization in ethyl alcohol. The desired peracetylated sugars were obtained in 90%-99% yields. The bottom phase was the ionic liquid containing the I2 catalyst and produced acetic acid. The I2/IL400 system was reused after the removal of the acetic acid under reduced pressure.

Reference： [1]Chinese Journal of Catalysis,2015,vol. 36,p. 237 - 243

18
[ 585-88-6 ]
[ 119-36-8 ]
C₁₉H₂₈O₁₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
1.4 g	With potassium carbonate; In N,N-dimethyl-formamide; at 90 - 110℃; under 125 - 155 Torr; for 4.0h;Inert atmosphere;	20.0 g of maltitol was placed in a heat-dried 200 ml four-necked flask and purged with nitrogen, and 100 ml of dehydrated DMF was added and the temperature was raised to 90 C. To this solution, 3.0 g of methyl salicylate and 0.3 g of potassium carbonate (dried by being covered with a heat gun under reduced pressure) were added and reacted for 4 hours at 96 to 110 C under reduced pressure (125 to 155 mm Hg). After completion of the reaction, the reaction solution was concentrated under reduced pressure, ethyl acetate was added to the residue, and the mixture was refluxed for 1 hour. After cooling to room temperature, the precipitate was removed by filtration and concentrated under reduced pressure to obtain 3.5 g of a brown liquid. Unreacted raw materials were removed using a chromatographic separation apparatus (apparatus: Kprep (manufactured by YMC), developing solvent: methanol / ultrapure water = 50/50, flow rate: 10 ml / min) and the structural isomers were collectively collected & 1.4 g of light pink oil was obtained.

Reference： [1]Patent: JP6151542,2017,B2 .Location in patent: Paragraph 0030

19
[ 133-99-3 ]
[ 585-88-6 ]

Reference： [1]Patent: US2019/345185,2019,A1 .Location in patent: Paragraph 0026-0030

20
[ 133-99-3 ]
[ 2280-44-6 ]
[ 50-70-4 ]
[ 585-88-6 ]

Reference： [1]Patent: US2019/345185,2019,A1 .Location in patent: Paragraph 0027

21
[ 69-79-4 ]
[ 585-88-6 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogen In water at 99.84℃; for 4h; Autoclave;	2.3. Catalytic performances test General procedure: The liquid-phase hydrogenation of sugar was performed at 4.0 MPaof H2 pressure and 373 K in a 200-mL stainless steel autoclave with aTeflon tube to avoid metal contamination, in which 0.5 g of Ni catalystand a sugar aqueous solution (10 wt.% in 50 mL H2O) were well mixed.According to the drop of the H2 pressure in the autoclave within 10min, both the specific activity (the H2 uptake rate per gram of Ni, RHm,mmol h-1 gNi-1) and the intrinsic activity (the H2 uptake rate per m2 ofNi, RHS, mmol h-1 mNi-2) were calculated by using the ideal gasequation. The reaction mixture was sampled at intervals for productanalysis through a liquid-phase chromatograph (Agilent 1200)equipped with a carbohydrate column (Shodex, SC1011) and a refractiveindex detector at 333 K with water as movable phase at 0.50mL min-1. Preliminary kinetic studies revealed that there was a plateauin the dependency of the reaction initial rate upon the stirring rateabove 1000 rpm and that the reaction initial rate varied linearly withcatalyst amount from 0.1 to 1.0 g, indicating that the stirring rate of1200 rpm was high enough that the hydrogenation rates were independentof mass transfer. After cooling to room temperature at theend of the reaction, the catalyst was separated by centrifugation andwashed with deionized water for further characterizations and applications.In order to determine the catalyst durability, the used catalystwas centrifuged and washed thoroughly with distilled water after eachrun of the reaction. Then, the used catalyst was reused with freshcharge of sugar for subsequent recycle runs under same reaction conditions.

Reference： [1]Yong, Yang; Huajun, Gu; Qingxiao, Zhang; Fang, Zhang; Hui, Li [Catalysis Today, 2021, vol. 365, p. 282 - 290]

22
[ 79787-48-7 ]
[ 585-88-6 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
94.3%	With candida antarcticalipase B In propan-2-one at 45℃; for 12h; Enzymatic reaction;	2.2.3. Enzymatic synthesis of CHS-1-Gal CHS-1-Gal was synthesized enzymatically using the same previouslydescribed method (Nie et al., 2021). We placed 0.4 mmol lactitol, 1.5mmol CHS-SE, 228 mg Novozyme 435, and 50 mL acetone in a conicalflask with a stopper and allowed the mixture to react in an air bathshaker at 45 .C and 250 rpm for 12 h. After the reaction, we suctionfiltered the reaction mixture to remove the enzyme. The filtrate wasrotary dried under vacuum. After an appropriate amount of isooctanewas added, the solution was allowed to stand at 0 .C for 24 h torecrystallize. We obtained 0.341 g (0.380 mmol) of solid white CHS-1-Gal. The yield was 94.3%.
94.3%	With candida antarcticalipase B In propan-2-one at 45℃; for 12h; Enzymatic reaction;	2.2.3. Enzymatic synthesis of CHS-1-Gal CHS-1-Gal was synthesized enzymatically using the same previouslydescribed method (Nie et al., 2021). We placed 0.4 mmol lactitol, 1.5mmol CHS-SE, 228 mg Novozyme 435, and 50 mL acetone in a conicalflask with a stopper and allowed the mixture to react in an air bathshaker at 45 .C and 250 rpm for 12 h. After the reaction, we suctionfiltered the reaction mixture to remove the enzyme. The filtrate wasrotary dried under vacuum. After an appropriate amount of isooctanewas added, the solution was allowed to stand at 0 .C for 24 h torecrystallize. We obtained 0.341 g (0.380 mmol) of solid white CHS-1-Gal. The yield was 94.3%.

Reference： [1]Nie, Hua; Liu, Xiao-Min; Yang, Qi-Xuan; Luo, Xiao-Dong; Zhao, Ying; Zhang, Sheng-Yuan [International Journal of Pharmaceutics, 2022, vol. 624]
[2]Nie, Hua; Liu, Xiao-Min; Yang, Qi-Xuan; Luo, Xiao-Dong; Zhao, Ying; Zhang, Sheng-Yuan [International Journal of Pharmaceutics, 2022, vol. 624]

23
[ 585-88-6 ]
[ 124-38-9 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
	With oxygen; titanium oxide In water; acetonitrile at 25 - 30℃; UV-irradiation;

Reference： [1]Zhou, Hongru; Wang, Min; Kong, Fanhao; Chen, Zhiwei; Dou, Zhaolin; Wang, Feng [Journal of the American Chemical Society, 2022, vol. 144, # 46, p. 21224 - 21231]

24
[ 585-88-6 ]
[ 64-18-6 ]

Yield	Reaction Conditions	Operation in experiment
	With oxygen; titanium oxide In water; acetonitrile at 25 - 30℃; UV-irradiation;

Reference： [1]Zhou, Hongru; Wang, Min; Kong, Fanhao; Chen, Zhiwei; Dou, Zhaolin; Wang, Feng [Journal of the American Chemical Society, 2022, vol. 144, # 46, p. 21224 - 21231]

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P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
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.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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Physical hazards
Code	Phrase
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
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
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
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
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
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
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. 585-88-6 ] {[proInfo.proName]}

Quality Control of [ 585-88-6 ]

Related Doc. of [ 585-88-6 ]

Product Details of [ 585-88-6 ]

Calculated chemistry of [ 585-88-6 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 585-88-6 ]

Application In Synthesis of [ 585-88-6 ]

[ 585-88-6 ] Synthesis Path-Downstream 1~24

Related Functional Groups of [ 585-88-6 ]

Ethers

Alcohols

Related Parent Nucleus of [ 585-88-6 ]

Tetrahydropyrans

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 585-88-6 ]

Related Parent Nucleus of
[ 585-88-6 ]