Molecule

ID:127042

General Information
Structure
MolImage
Molecular Formula
C₃H₅O₆P--
Molecular Mass
168.041961
Exact Mass
167.98237451
Charge
-2
InChI
InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)/p-2
InChIKey
GNGACRATGGDKBX-UHFFFAOYSA-L
Canonic Smiles
OCC(=O)COP(=O)([O-])[O-]
Isomeric Smiles
[O-]P(=O)([O-])OCC(=O)CO
Calculated Properties
JChem
LogD (pH = 7.4)
-5.21
LogD (pH = 5.5)
-4.10
Log P
-1.65
Rotatable Bonds
4
H Donor
1
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
1.19
Polar Surface Area
109.72
Polarizability
12.04
Molar Refractivity
28.23
LOG S
1.32
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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