Molecule

ID:2247

General Information
Structure
Molecular Formula
C₃H₉O₆P
Molecular Mass
172.073721
Exact Mass
172.01367464
Charge
0
InChI
InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1
InChIKey
AWUCVROLDVIAJX-GSVOUGTGSA-N
Canonic Smiles
OC[C@H](COP(=O)(O)O)O
Isomeric Smiles
OC[C@@H](O)COP(=O)(O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-5.25
LogD (pH = 5.5)
-4.37
Log P
-1.96
Rotatable Bonds
4
H Donor
4
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
1.51
Polar Surface Area
107.22
Polarizability
13.57
Molar Refractivity
31.39
LOG S
1.69
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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