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CAS 47727-93-5 2,3,4-Tri-O-benzyl-D-glucopyranose molecular structure lightbox
CAS RN: 47727-93-5

2,3,4-Tri-O-benzyl-D-glucopyranose

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250107 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS47727-93-5
  • Purity/Analytical Methods: >99.0%
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47727-93-5 / (3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol

Standard CAS: 47727-93-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
47727-93-5
Multi CAS
Yes
Molecular Formula
C27H30O6
Molecular Weight
450.500000
Exact Mass
450.204239
InChI
InChI=1S/C27H30O6/c28-16-23-24(30-17-20-10-4-1-5-11-20)25(31-18-21-12-6-2-7-13-21)26(27(29)33-23)32-19-22-14-8-3-9-15-22/h1-15,23-29H,16-19H2/t23-,24-,25+,26-,27?/m1/s1
InChIKey
PVXYBJYRHZYLGR-MZIUKZFCSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
2
Molar refractivity
123.02
TPSA
77.38

LogP / Solubility

WLOGP
3.45
MLOGP
3.07
XLogP3
3
Consensus LogP
3.17
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.65
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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