Molecule

ID:2608

General Information
Structure
MolImage
Molecular Formula
C₂H₅O₅P
Molecular Mass
140.031861
Exact Mass
139.98745989
Charge
0
InChI
InChI=1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6)
InChIKey
LIPOUNRJVLNBCD-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OP(=O)(O)O
Isomeric Smiles
CC(=O)OP(=O)(O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-4.39
LogD (pH = 5.5)
-3.31
Log P
-0.88
Rotatable Bonds
2
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
1.24
Polar Surface Area
83.83
Polarizability
9.83
Molar Refractivity
23.80
LOG S
1.11
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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