Molecule

ID:2447

General Information
Structure
MolImage
Molecular Formula
C₂H₅O₆P
Molecular Mass
156.031261
Exact Mass
155.98237451
Charge
0
InChI
InChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
InChIKey
ASCFNMCAHFUBCO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)COP(=O)(O)O
Isomeric Smiles
OC(=O)COP(=O)(O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-7.88
LogD (pH = 5.5)
-5.36
Log P
-1.16
Rotatable Bonds
3
H Donor
3
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
1.14
Polar Surface Area
104.06
Polarizability
10.76
Molar Refractivity
25.22
LOG S
1.43
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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