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CAS 17791-37-6 Methyl 2,3,4,6-Tetra-O-benzyl-a-D-glucopyranoside molecular structure lightbox
CAS RN: 17791-37-6

Methyl 2,3,4,6-Tetra-O-benzyl-a-D-glucopyranoside

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260208 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS17791-37-6
  • Purity/Analytical Methods: >99.0%
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17791-37-6 / (2S,3R,4S,5R,6R)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

Standard CAS: 17791-37-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17791-37-6
Multi CAS
No
Molecular Formula
C35H38O6
Molecular Weight
554.700000
Exact Mass
554.266839
SMILES
CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C35H38O6/c1-36-35-34(40-25-30-20-12-5-13-21-30)33(39-24-29-18-10-4-11-19-29)32(38-23-28-16-8-3-9-17-28)31(41-35)26-37-22-27-14-6-2-7-15-27/h2-21,31-35H,22-26H2,1H3/t31-,32-,33+,34-,35+/m1/s1
InChIKey
IXEBJCKOMVGYKP-KJQSSVQNSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
24
Fraction Csp3
0.31
Rotatable bonds
14
H-bond acceptors
6
Molar refractivity
156.82
TPSA
55.38

LogP / Solubility

WLOGP
6.33
MLOGP
5.61
XLogP3
5.5
Consensus LogP
5.81
Log S (ESOL)
-6.78
Class (ESOL)
Insoluble
Log S (Ali)
-8.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.2
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.61

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5

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