CAS RN: 35899-89-9
BETA-D-GALACTOPYRANOSYL AZIDE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS35899-89-9
- Purity/Analytical Methods: >99.0%
35899-89-9 / 2-azido-6-(hydroxymethyl)oxane-3,4,5-triol
Basic Information
CAS
35899-89-9
Multi CAS
Yes
Molecular Formula
C6H11N3O5
Molecular Weight
205.170000
Exact Mass
205.069870
InChI
InChI=1S/C6H11N3O5/c7-9-8-6-5(13)4(12)3(11)2(1-10)14-6/h2-6,10-13H,1H2/t2-,3+,4+,5-,6-/m1/s1
InChIKey
KSRDTSABQYNYMP-FPRJBGLDSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
4
Molar refractivity
42.91
TPSA
138.91
LogP / Solubility
WLOGP
-1.9
MLOGP
-1.67
XLogP3
-1
Consensus LogP
-1.52
Log S (ESOL)
0.22
Class (ESOL)
Highly soluble
Log S (Ali)
0.13
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.35
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)
-5.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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