Molecule

ID:1552

General Information
Structure
MolImage
Molecular Formula
C₃H₉O₆P
Molecular Mass
172.073721
Exact Mass
172.01367464
Charge
0
InChI
InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
InChIKey
DHCLVCXQIBBOPH-UHFFFAOYSA-N
Canonic Smiles
OCC(OP(=O)(O)O)CO
Isomeric Smiles
OCC(CO)OP(=O)(O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-5.57
LogD (pH = 5.5)
-4.42
Log P
-1.96
Rotatable Bonds
4
H Donor
4
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
1.13
Polar Surface Area
107.22
Polarizability
13.36
Molar Refractivity
31.39
LOG S
1.78
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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