Molecule

ID:2536

General Information
Structure
MolImage
Molecular Formula
C₂H₅O₅P
Molecular Mass
140.031861
Exact Mass
139.98745989
Charge
0
InChI
InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
InChIKey
XUYJLQHKOGNDPB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CP(=O)(O)O
Isomeric Smiles
OC(=O)CP(=O)(O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-7.40
LogD (pH = 5.5)
-6.02
Log P
-1.60
Rotatable Bonds
2
H Donor
3
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
1.62
Polar Surface Area
94.83
Polarizability
9.76
Molar Refractivity
23.63
LOG S
2.13
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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