CAS RN: 62470-46-6

p-Vinylphenyl O-beta-D-glucopyraside

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  • Product code: starshine_CAS62470-46-6
  • Purity/Analytical Methods: >99.0%
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62470-46-6 / (2S,3R,4S,5S,6R)-2-(4-ethenylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 62470-46-6 Multi CAS: Yes

Basic Information

CAS
62470-46-6
Multi CAS
Yes
Molecular Formula
C14H18O6
Molecular Weight
282.290000
Exact Mass
282.110338
InChI
InChI=1S/C14H18O6/c1-2-8-3-5-9(6-4-8)19-14-13(18)12(17)11(16)10(7-15)20-14/h2-6,10-18H,1,7H2/t10-,11-,12+,13-,14-/m1/s1
InChIKey
UBOROQNWLSDLJF-RKQHYHRCSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
70.93
TPSA
99.38

LogP / Solubility

WLOGP
-0.49
MLOGP
-0.42
XLogP3
0.9
Consensus LogP
0.0000
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
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)
-4.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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