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CAS 5285-02-9 Benzyl α-D-glucopyranosiduronic acid molecular structure lightbox
CAS RN: 5285-02-9

Benzyl α-D-glucopyranosiduronic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250930 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS5285-02-9
  • Purity/Analytical Methods: >99.0%
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5285-02-9 / (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carboxylic acid

Standard CAS: 5285-02-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5285-02-9
Multi CAS
Yes
Molecular Formula
C13H16O7
Molecular Weight
284.260000
Exact Mass
284.089603
InChI
InChI=1S/C13H16O7/c14-8-9(15)11(12(17)18)20-13(10(8)16)19-6-7-4-2-1-3-5-7/h1-5,8-11,13-16H,6H2,(H,17,18)/t8-,9-,10+,11-,13+/m0/s1
InChIKey
UDTQUOJQGJBORK-XPORZQOISA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
65.55
TPSA
116.45

LogP / Solubility

WLOGP
-0.9
MLOGP
-0.79
XLogP3
-0.3
Consensus LogP
-0.66
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
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)
-5.1

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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