![CAS 81720-07-2 [(1S,4aα,7aα)-1α-(β-D-Glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5β-hydroxycyclopenta[c]pyran-7α-yl]α-D-galactopyranoside molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/81720-07-2.gif)
CAS RN: 81720-07-2
[(1S,4aα,7aα)-1α-(β-D-Glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5β-hydroxycyclopenta[c]pyran-7α-yl]α-D-galactopyranoside
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250304 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS81720-07-2
- Purity/Analytical Methods: >99.0%
81720-07-2 / (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5R,7S,7aS)-5-hydroxy-7-methyl-7-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Basic Information
CAS
81720-07-2
Multi CAS
Yes
Molecular Formula
C21H34O14
Molecular Weight
510.500000
Exact Mass
510.194856
InChI
InChI=1S/C21H34O14/c1-21(35-20-17(30)15(28)13(26)10(6-23)33-20)4-8(24)7-2-3-31-18(11(7)21)34-19-16(29)14(27)12(25)9(5-22)32-19/h2-3,7-20,22-30H,4-6H2,1H3/t7-,8+,9+,10+,11+,12+,13-,14-,15-,16+,17+,18-,19-,20+,21-/m0/s1
InChIKey
MITBZAODGSBUIS-YSCABPIUSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Fraction Csp3
0.9
Rotatable bonds
6
H-bond acceptors
14
H-bond donors
9
Molar refractivity
109.73
TPSA
228.22
LogP / Solubility
WLOGP
-4.75
MLOGP
-4.15
XLogP3
-3.8
Consensus LogP
-4.23
Log S (ESOL)
0.39
Class (ESOL)
Highly soluble
Log S (Ali)
-0.31
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.25
Class (SILICOS-IT)
Highly soluble
ADME
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)
-9.21
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
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![CAS 81720-08-3 [(1S,7aα)-1α-(β-D-Glucopyranosyloxy)-5,7a-dihydro-5α-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-4aα(1H)-yl]2-O-β-D-glucopyranosyl-β-D-glucopyranoside molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/81720-08-3.gif)
