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CAS 13100-46-4 2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSE molecular structure lightbox
CAS RN: 13100-46-4

2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSE

  • Product code: SSC-037614
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 13100-46-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

13100-46-4 / [(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-2-(hydroxymethyl)oxan-3-yl] acetate

Standard CAS: 13100-46-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13100-46-4
Multi CAS
No
Molecular Formula
C14H20O10
Molecular Weight
348.300000
Exact Mass
348.105647
SMILES
CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)CO
InChI
InChI=1S/C14H20O10/c1-6(16)20-11-10(5-15)24-14(23-9(4)19)13(22-8(3)18)12(11)21-7(2)17/h10-15H,5H2,1-4H3/t10-,11-,12+,13-,14-/m1/s1
InChIKey
FEQXFAYSNRWXDW-RKQHYHRCSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
1
Molar refractivity
74.17
TPSA
134.66

LogP / Solubility

WLOGP
-0.94
MLOGP
-0.81
XLogP3
0.1
Consensus LogP
-0.55
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
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)
-5.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5

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