![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)
CAS RN: 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
Product Availability
Choose a grade to view its available package options.
11 package records5 with current stock4 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250914 | 1ml | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251024 | 10mg | Out of stock | Inquiry | ||
| Batchno.20260102 | 25mg | Out of stock | Inquiry | ||
| Batchno.20260311 | 50mg | Out of stock | Inquiry | ||
| Batchno.20250806 | 5mg | Out of stock | Inquiry | ||
| Batchno.20251025 | 5mg / 10mg / 50mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251106 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS81720-08-3
- Purity/Analytical Methods: >99.0%
81720-08-3 / (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(1S,4aS,5R,7aR)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4a-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Basic Information
CAS
81720-08-3
Multi CAS
Yes
Molecular Formula
C27H42O20
Molecular Weight
686.600000
Exact Mass
686.226944
InChI
InChI=1S/C27H42O20/c28-4-8-3-12(32)27(1-2-41-23(13(8)27)46-25-21(40)18(37)15(34)10(6-30)43-25)47-26-22(19(38)16(35)11(7-31)44-26)45-24-20(39)17(36)14(33)9(5-29)42-24/h1-3,9-26,28-40H,4-7H2/t9-,10-,11-,12-,13+,14-,15-,16-,17+,18+,19+,20-,21-,22-,23+,24+,25+,26+,27-/m1/s1
InChIKey
JQEFRKPLHFKTFL-SNQOEBIKSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Fraction Csp3
0.85
Rotatable bonds
10
H-bond acceptors
20
H-bond donors
13
Molar refractivity
143.75
TPSA
327.6
LogP / Solubility
WLOGP
-8.04
MLOGP
-7.02
XLogP3
-7.3
Consensus LogP
-7.45
Log S (ESOL)
1.63
Class (ESOL)
Highly soluble
Log S (Ali)
0.61
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.35
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)
-12.62
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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