CAS RN: 66927-03-5
6-Azido-6-deoxy-D-galactopyranose
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: ICTA3167
66927-03-5 / (2R,3S,4S,5R)-6-azido-2,3,4,5-tetrahydroxyhexanal
Basic Information
CAS
66927-03-5
Multi CAS
Yes
Molecular Formula
C6H11N3O5
Molecular Weight
205.170000
Exact Mass
205.069870
InChI
InChI=1S/C6H11N3O5/c7-9-8-1-3(11)5(13)6(14)4(12)2-10/h2-6,11-14H,1H2/t3-,4+,5+,6-/m1/s1
InChIKey
HEYJIJWKSGKYTQ-DPYQTVNSSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.83
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
4
Molar refractivity
44.1
TPSA
146.75
LogP / Solubility
WLOGP
-2.06
MLOGP
-1.81
XLogP3
-1.8
Consensus LogP
-1.89
Log S (ESOL)
0.58
Class (ESOL)
Highly soluble
Log S (Ali)
0.25
Class (Ali)
Highly soluble
Class (SILICOS-IT)
Very 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)
-5.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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