CAS RN: 918149-30-1
G-6-P-Na2, Robison ester
Product Availability
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS918149-30-1
- Purity/Analytical Methods: >99.0%
918149-30-1 / disodium;[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate;dihydrate
Basic Information
CAS
918149-30-1
Multi CAS
Yes
Molecular Formula
C6H15NA2O11P
Molecular Weight
340.130000
Exact Mass
340.014737
InChI
InChI=1S/C6H13O9P.2Na.2H2O/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;;;;/h4-7,9-11H,1-2H2,(H2,12,13,14);;;2*1H2/q;2*+1;;/p-2/t4-,5-,6-;;;;/m1..../s1
InChIKey
CDLRMALLOSORSP-ZOPBSDICSA-L
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.83
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
4
Molar refractivity
50.9
TPSA
233.41
LogP / Solubility
WLOGP
-12.17
MLOGP
-10.69
XLogP3
-12.17
Consensus LogP
-11.68
Log S (ESOL)
6.18
Class (ESOL)
Highly soluble
Log S (Ali)
6.43
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
7.39
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)
-13.43
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
3
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