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CAS 55073-41-1 SODIUM GLYCEROPHOSPHATE HYDRATE molecular structure lightbox
CAS RN: 55073-41-1

SODIUM GLYCEROPHOSPHATE HYDRATE

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  • Product code: starshine_CAS55073-41-1
  • Purity/Analytical Methods: >99.0%
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55073-41-1 / disodium;1,3-dihydroxypropan-2-yl phosphate;hydrate

Standard CAS: 55073-41-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
55073-41-1
Multi CAS
Yes
Molecular Formula
C3H9NA2O7P
Molecular Weight
234.050000
Exact Mass
233.988128
InChI
InChI=1S/C3H9O6P.2Na/c4-1-3(5)2-9-10(6,7)8;;/h3-5H,1-2H2,(H2,6,7,8);;/q;2*+1/p-2
InChIKey
GEKBIENFFVFKRG-UHFFFAOYSA-L

Physical Properties

Physical Description
Hydrate: White crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
30.26
TPSA
144.38

LogP / Solubility

WLOGP
-9.63
MLOGP
-8.47
XLogP3
-9.63
Consensus LogP
-9.24
Log S (ESOL)
5.04
Class (ESOL)
Highly soluble
Log S (Ali)
5.47
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.33
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)
-10.99

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
1.5

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