CAS RN: 51255-17-5

Methyl-2-deoxy-alpha-D-ribofuranoside

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  • Product code: starshine_CAS51255-17-5
  • Purity/Analytical Methods: >99.0%
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51255-17-5 / 2-(hydroxymethyl)-5-methoxyoxolan-3-ol

Standard CAS: 51255-17-5 Multi CAS: Yes

Basic Information

CAS
51255-17-5
Multi CAS
Yes
Molecular Formula
C6H12O4
Molecular Weight
148.160000
Exact Mass
148.073559
InChI
InChI=1S/C6H12O4/c1-9-6-2-4(8)5(3-7)10-6/h4-8H,2-3H2,1H3/t4-,5+,6-/m0/s1
InChIKey
NVGJZDFWPSOTHM-JKUQZMGJSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
33.38
TPSA
58.92

LogP / Solubility

WLOGP
-0.9
MLOGP
-0.8
XLogP3
-0.5
Consensus LogP
-0.73
Log S (ESOL)
-0.06
Class (ESOL)
Very soluble
Log S (Ali)
-0.13
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.12
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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