CAS RN: 5328-63-2
Methyl β-D-Arabinopyranoside
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: ICTM1019
- Purity/Analytical Methods: >99.0%(GC)
5328-63-2 / (2S,3S,5R)-2-methoxyoxane-3,4,5-triol
Basic Information
CAS
5328-63-2
Multi CAS
Yes
Molecular Formula
C6H12O5
Molecular Weight
164.160000
Exact Mass
164.068473
InChI
InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4?,5+,6+/m1/s1
InChIKey
ZBDGHWFPLXXWRD-NQAPHZHOSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
34.77
TPSA
79.15
LogP / Solubility
WLOGP
-1.93
MLOGP
-1.7
XLogP3
-2
Consensus LogP
-1.88
Log S (ESOL)
0.42
Class (ESOL)
Highly soluble
Log S (Ali)
0.49
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.75
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)
-5.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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