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CAS 10343-13-2 BENZYL 2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSIDE molecular structure lightbox
CAS RN: 10343-13-2

BENZYL 2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250812 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS10343-13-2
  • Purity/Analytical Methods: >99.0%
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10343-13-2 / [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-phenylmethoxyoxan-2-yl]methyl acetate

Benzyl 2,3,4,6-Tetra-O-acetyl-beta-D-Glucopyranoside | (2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-(benzyloxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate | [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-phenylmethoxyoxan-2-yl]methyl acetate

Standard CAS: 10343-13-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10343-13-2
Multi CAS
Yes
Molecular Formula
C21H26O10
Molecular Weight
438.400000
Exact Mass
438.152597
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C21H26O10/c1-12(22)26-11-17-18(28-13(2)23)19(29-14(3)24)20(30-15(4)25)21(31-17)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
XDMACMMTPGFUCZ-YMQHIKHWSA-N
Synonyms
Benzyl 2,3,4,6-Tetra-O-acetyl-beta-D-Glucopyranoside (2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-(benzyloxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-phenylmethoxyoxan-2-yl]methyl acetate Benzyl 2,3,4,6-Tetra-O-acetyl-ss-D-Glucopyranoside [(2R,3R,4S,5R,6R)-3,4,5-TRIS(ACETYLOXY)-6-(BENZYLOXY)OXAN-2-YL]METHYL ACETATE

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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