Molecule

ID:127296

General Information
Structure
MolImage
Molecular Formula
C₄H₇O₇P--
Molecular Mass
198.067941
Exact Mass
197.99293919
Charge
-2
InChI
InChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)/p-2/t3-,4+/m0/s1
InChIKey
NGHMDNPXVRFFGS-IUYQGCFVSA-L
Canonic Smiles
O=C[C@@H]([C@@H](COP(=O)([O-])[O-])O)O
Isomeric Smiles
[O-]P(=O)([O-])OC[C@@H](O)[C@@H](O)C=O
Calculated Properties
JChem
LogD (pH = 7.4)
-5.74
LogD (pH = 5.5)
-4.84
Log P
-2.43
Rotatable Bonds
5
H Donor
2
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
1.48
Polar Surface Area
129.95
Polarizability
14.80
Molar Refractivity
34.05
LOG S
1.55
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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