[ CAS No. 10284-63-6 ]

Name: 10284-63-6|(1R,2S,3R,4S,5S,6S)-6-Methoxycyclohexane-1,2,3,4,5-pentaol|97%
Brand: Ambeed
SKU: A101964
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Quality Control of [ 10284-63-6 ]

COA NMR CNMR HPLC LC-MS

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Alternatived Products of [ 10284-63-6 ]

Product Details of [ 10284-63-6 ]

CAS No. :	10284-63-6	MDL No. :	MFCD00216659
Formula :	C₇H₁₄O₆	Boiling Point :	508.7°C at 760 mmHg
Linear Structure Formula :	-	InChI Key :	N/A
M.W :	194.18 g/mol	Pubchem ID :	164619
Synonyms :	1. D-Pinitol

Calculated chemistry of of [ 10284-63-6 ]

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	6.0
Num. H-bond donors :	5.0
Molar Refractivity :	40.54
TPSA :	110.38 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) :	-9.74 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.55
Log Po/w (XLOGP3) :	-3.17
Log Po/w (WLOGP) :	-3.18
Log Po/w (MLOGP) :	-2.81
Log Po/w (SILICOS-IT) :	-2.5
Consensus Log Po/w :	-2.22

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	1.02
Solubility :	2030.0 mg/ml ; 10.5 mol/l
Class :	Highly soluble
Log S (Ali) :	1.42
Solubility :	5110.0 mg/ml ; 26.3 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	2.58
Solubility :	73700.0 mg/ml ; 379.0 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.76

Safety of [ 10284-63-6 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338-P310	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 10284-63-6 ]

* 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 [ 10284-63-6 ]

[ 10284-63-6 ] Synthesis Path-Downstream 1~33

1
[ 67-56-1 ]
[ 125164-85-4 ]
[ 10284-63-6 ]

Reference： [1]Tetrahedron Letters,1989,vol. 30,p. 3113 - 3116

2
[ 75-77-4 ]
[ 10284-63-6 ]
[ 14199-75-8 ]

Reference： [1]Carbohydrate Research,1984,vol. 129,p. 21 - 32

3
[ 10284-63-6 ]
(1'S,2'S,3'S,4'S,5'R,6'R)-3'-O-methyl-5'-deoxy-5'-(benzotriazole-1-yl)-D-chiro-inositol [ No CAS ]

Reference： [1]Carbohydrate Research,2007,vol. 342,p. 865 - 869

4
[ 10284-63-6 ]
(1'S,2'S,3'S,4'S,5'R,6'R)-3'-O-methyl-5'-deoxy-5'-(6-nitroindazole-1-yl)-D-chiro-inositol [ No CAS ]

Reference： [1]Carbohydrate Research,2007,vol. 342,p. 865 - 869

5
[ 10284-63-6 ]
(1'S,2'S,3'S,4'S,5'R,6'R)-3'-O-methyl-5'-deoxy-5'-(5-nitroindazole-1-yl)-D-chiro-inositol [ No CAS ]

Reference： [1]Carbohydrate Research,2007,vol. 342,p. 865 - 869

6
[ 10284-63-6 ]
[ 908589-08-2 ]

Reference： [1]Carbohydrate Research,2007,vol. 342,p. 865 - 869

7
[ 10284-63-6 ]
[ 908589-10-6 ]

Reference： [1]Carbohydrate Research,2007,vol. 342,p. 865 - 869

8
[ 10284-63-6 ]
[ 18391-52-1 ]

Reference： [1]Carbohydrate Research,2007,vol. 342,p. 865 - 869

9
[ 10284-63-6 ]
[ 769931-69-3 ]

Reference： [1]Organic and biomolecular chemistry,2004,vol. 2,p. 2272 - 2274

10
[ 10284-63-6 ]
3-Phenyl-heptanoic acid (3aS,4S,5R,5aR,8aR,8bS)-5-methoxy-2,2,7,7-tetramethyl-hexahydro-benzo[1,2-d;3,4-d']bis[1,3]dioxol-4-yl ester [ No CAS ]

Reference： [1]Organic and biomolecular chemistry,2004,vol. 2,p. 2272 - 2274

11
[ 10284-63-6 ]
1-D-3-O-(3-phenyl-3-phenylthiopropanoyl)-4-O-methoxy-1,2:5,6-di-O-isopropylidene-chiro-inositol [ No CAS ]

Reference： [1]Organic and biomolecular chemistry,2004,vol. 2,p. 2272 - 2274

12
[ 10284-63-6 ]
[ 57783-98-9 ]

Reference： [1]Carbohydrate Research,2004,vol. 339,p. 1857 - 1871
[2]Patent: KR2015/73632,2015,A

13
[ 10284-63-6 ]
[ 57783-99-0 ]

Reference： [1]Carbohydrate Research,2004,vol. 339,p. 1857 - 1871
[2]Patent: KR2015/73632,2015,A

14
[ 10284-63-6 ]
[ 40617-59-2 ]

Reference： [1]Carbohydrate Research,2004,vol. 339,p. 1857 - 1871
[2]Journal of the American Chemical Society,1990,vol. 112,p. 4528 - 4531
[3]Journal of the American Chemical Society,1990,vol. 112,p. 4528 - 4531
[4]Journal of the American Chemical Society,1952,vol. 74,p. 1479

15
[ 10284-63-6 ]
[ 19647-44-0 ]

16
[ 10284-63-6 ]
(3aR,4S,5S,5aR,8aR,8bR)-4-Allyloxy-5-methoxy-2,2,7,7-tetramethyl-hexahydro-benzo[1,2-d;3,4-d']bis[1,3]dioxole [ No CAS ]

Reference： [1]Carbohydrate Research,2004,vol. 339,p. 1857 - 1871

17
[ 10284-63-6 ]
1D-1-O-(β-D-galactopyranosyl)-3,4-di-O-methyl-chiro-inisitol [ No CAS ]

Reference： [1]Carbohydrate Research,2004,vol. 339,p. 1857 - 1871

18
[ 10284-63-6 ]
4-O-(2-amino-2-deoxy-β-D-galactopyranosyl)-3-O-methyl-D-chiro-inositol [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 3283 - 3291

19
[ 10284-63-6 ]
4-[2-deoxy-2-[[(2,2,2-trichloroethoxy)carbonyl]amino]-3,4,6-triacetyl-β-D-galactopyranosyl]-3-O-methyl-1,2:5,6-bis-O-(1-methylethylidene)-D-chiro-inositol [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 3283 - 3291

20
[ 10284-63-6 ]
[ 434335-31-6 ]