![CAS 29836-27-9 1α-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-5α,7α-dihydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/29836-27-9.gif)
CAS RN: 29836-27-9
1α-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-5α,7α-dihydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260217 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS29836-27-9
- Purity/Analytical Methods: >99.0%
29836-27-9 / (1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
Basic Information
CAS
29836-27-9
Multi CAS
Yes
Molecular Formula
C16H24O11
Molecular Weight
392.350000
Exact Mass
392.131862
InChI
InChI=1S/C16H24O11/c1-16(24)2-6(18)8-5(13(22)23)4-25-14(9(8)16)27-15-12(21)11(20)10(19)7(3-17)26-15/h4,6-12,14-15,17-21,24H,2-3H2,1H3,(H,22,23)/t6-,7-,8+,9-,10-,11+,12-,14+,15+,16+/m1/s1
InChIKey
YSIFYNVXJOGADM-KDYWOABDSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
0.81
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
7
Molar refractivity
83.67
TPSA
186.37
LogP / Solubility
WLOGP
-3.12
MLOGP
-2.73
XLogP3
-2.9
Consensus LogP
-2.92
Log S (ESOL)
-0.04
Class (ESOL)
Very soluble
Log S (Ali)
-0.52
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.1
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5
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