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CAS 85305-87-9 GLUCOSYLCERAMIDE molecular structure lightbox
CAS RN: 85305-87-9

GLUCOSYLCERAMIDE

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Batchno.20260427 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS85305-87-9
  • Purity/Analytical Methods: >99.0%
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85305-87-9 / (2S)-2-amino-3-hydroxy-N-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide

Standard CAS: 85305-87-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
85305-87-9
Multi CAS
Yes
Molecular Formula
C9H18N2O7
Molecular Weight
266.250000
Exact Mass
266.111401
InChI
InChI=1S/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45+,46-,47+,48+/m0/s1
InChIKey
POQRWMRXUOPCLD-GZXCKHLVSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.89
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
7
Molar refractivity
56.97
TPSA
165.5

LogP / Solubility

WLOGP
-4.78
MLOGP
-4.2
XLogP3
-3.6
Consensus LogP
-4.19
Log S (ESOL)
1.78
Class (ESOL)
Highly soluble
Log S (Ali)
1.71
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.1
Class (SILICOS-IT)
Highly 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)
-7.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

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