CAS RN: 5996-17-8
D-GLUCOSE-6-PHOSPHATE DIPOTASSIUM SALT HYDRATE
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS5996-17-8
- Purity/Analytical Methods: >99.0%
5996-17-8 / dipotassium;(2,3,4,5-tetrahydroxy-6-oxohexyl) phosphate;hydrate
Basic Information
CAS
5996-17-8
Multi CAS
Yes
Molecular Formula
C6H13K2O10P
Molecular Weight
354.330000
Exact Mass
353.952047
InChI
InChI=1S/C6H13O9P.2K/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;;/h1,3-6,8-11H,2H2,(H2,12,13,14);;/q;2*+1/p-2/t3-,4+,5+,6+;;/m0../s1
InChIKey
BWHWCIODKVRLNE-FAOVPRGRSA-L
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.83
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
4
Molar refractivity
47.26
TPSA
201.91
LogP / Solubility
WLOGP
-11.34
MLOGP
-9.96
XLogP3
-11.34
Consensus LogP
-10.88
Log S (ESOL)
5.57
Class (ESOL)
Highly soluble
Log S (Ali)
5.72
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.61
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)
-12.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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