Molecule

ID:105942

General Information
Structure
MolImage
Molecular Formula
C₃H₇O₆P
Molecular Mass
170.057841
Exact Mass
169.99802457
Charge
0
InChI
InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)
InChIKey
LXJXRIRHZLFYRP-UHFFFAOYSA-N
Canonic Smiles
O=CC(COP(=O)(O)O)O
Isomeric Smiles
OC(COP(=O)(O)O)C=O
Calculated Properties
JChem
LogD (pH = 7.4)
-5.18
LogD (pH = 5.5)
-4.22
Log P
-1.80
Rotatable Bonds
4
H Donor
3
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
1.40
Polar Surface Area
104.06
Polarizability
12.52
Molar Refractivity
30.33
LOG S
1.51
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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