Molecule

ID:105998

General Information
Structure
MolImage
Molecular Formula
C₃H₆NaO₇P
Molecular Mass
208.039071
Exact Mass
207.97488344
Charge
0
InChI
InChI=1S/C3H5O6P.Na.H2O/c1-2(3(4)5)9-10(6,7)8;;/h1H2,(H,4,5)(H2,6,7,8);;1H2/q;+1;/p-1
InChIKey
YEQQMAFLJISSCR-UHFFFAOYSA-M
Canonic Smiles
OC(=O)C(=C)OP(=O)(O)[O-].O.[Na+]
Isomeric Smiles
O.[Na+].OC(=O)C(=C)OP(=O)(O)[O-]
Calculated Properties
JChem
Acid pKa
0.7594135
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-5.068693
LogD (pH = 7.4)
-7.721958
Log P
-0.63957554
Molar Refractivity
29.01
Polarizability
11.825219
Polar Surface Area
106.89
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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