CAS RN: 80779-87-9
2-O-Benzyl-1,3,4,6-tetra-O-acetyl-a-D-mannopyranose
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260324 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS80779-87-9
- Purity/Analytical Methods: >99.0%
80779-87-9 / (3,4,6-triacetyloxy-5-phenylmethoxyoxan-2-yl)methyl acetate
Basic Information
CAS
80779-87-9
Multi CAS
Yes
Molecular Formula
C21H26O10
Molecular Weight
438.400000
Exact Mass
438.152597
InChI
InChI=1S/C21H26O10/c1-12(22)26-11-17-18(28-13(2)23)19(29-14(3)24)20(21(31-17)30-15(4)25)27-10-16-8-6-5-7-9-16/h5-9,17-21H,10-11H2,1-4H3/t17-,18-,19+,20+,21+/m1/s1
InChIKey
NLYXGZTYODRENV-MJCUULBUSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.52
Rotatable bonds
8
H-bond acceptors
10
Molar refractivity
103.19
TPSA
123.66
LogP / Solubility
WLOGP
1.29
MLOGP
1.16
XLogP3
2.1
Consensus LogP
1.52
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-4.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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