CAS RN: 3616-42-0
D-GLUCOSAMINE 6-PHOSPHATE
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS3616-42-0
- Purity/Analytical Methods: >99.0%
3616-42-0 / (5-amino-3,4,6-trihydroxyoxan-2-yl)methyl dihydrogen phosphate
Basic Information
CAS
3616-42-0
Multi CAS
Yes
Molecular Formula
C6H14NO8P
Molecular Weight
259.150000
Exact Mass
259.045703
InChI
InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6?/m1/s1
InChIKey
XHMJOUIAFHJHBW-IVMDWMLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
6
Molar refractivity
48.86
TPSA
162.7
LogP / Solubility
WLOGP
-3.14
MLOGP
-2.75
XLogP3
-6.8
Consensus LogP
-4.23
Log S (ESOL)
0.73
Class (ESOL)
Highly soluble
Log S (Ali)
0.58
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.9
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)
-6.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4
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