CAS RN: 74867-91-7
1-AMINO-1-DEOXY-BETA-D-GALACTOSE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
- Product code: starshine_CAS74867-91-7
- Purity/Analytical Methods: >99.0%
74867-91-7 / 2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
Basic Information
CAS
74867-91-7
Multi CAS
Yes
Molecular Formula
C6H13NO5
Molecular Weight
179.170000
Exact Mass
179.079373
InChI
InChI=1S/C6H13NO5/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1,7H2/t2-,3+,4+,5-,6?/m1/s1
InChIKey
WCWOEQFAYSXBRK-SVZMEOIVSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
5
Molar refractivity
37.95
TPSA
116.17
LogP / Solubility
WLOGP
-3.25
MLOGP
-2.87
XLogP3
-2.8
Consensus LogP
-2.97
Log S (ESOL)
1.17
Class (ESOL)
Highly soluble
Log S (Ali)
1.32
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.76
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)
-6.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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