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CAS 60431-34-7 2,3,4-TRI-O-BENZYL-L-FUCOPYRANOSE molecular structure lightbox
CAS RN: 60431-34-7

2,3,4-TRI-O-BENZYL-L-FUCOPYRANOSE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260322 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS60431-34-7
  • Purity/Analytical Methods: >99.0%
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60431-34-7 / (3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-ol

Standard CAS: 60431-34-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60431-34-7
Multi CAS
Yes
Molecular Formula
C27H30O5
Molecular Weight
434.500000
Exact Mass
434.209324
InChI
InChI=1S/C27H30O5/c1-20-24(29-17-21-11-5-2-6-12-21)25(30-18-22-13-7-3-8-14-22)26(27(28)32-20)31-19-23-15-9-4-10-16-23/h2-16,20,24-28H,17-19H2,1H3/t20-,24+,25+,26-,27?/m0/s1
InChIKey
YRAQXZMHYZXWBZ-OGPNLZSQSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
1
Molar refractivity
121.61
TPSA
57.15

LogP / Solubility

WLOGP
4.48
MLOGP
3.97
XLogP3
4
Consensus LogP
4.15
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.28
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.19

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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