Molecule

ID:134176

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NaO₇P
Molecular Mass
237.100171
Exact Mass
237.0140086
Charge
0
InChI
InChI=1S/C5H11O7P.Na/c6-2-1-4(7)5(8)3-12-13(9,10)11;/h2,4-5,7-8H,1,3H2,(H2,9,10,11);
InChIKey
ZRNGXBHWCWMPOF-UHFFFAOYSA-N
Canonic Smiles
O=CCC(C(COP(=O)(O)O)O)O.[Na]
Isomeric Smiles
C(C=O)C(C(COP(=O)(O)O)O)O.[Na]
Calculated Properties
JChem
Acid pKa
1.4979651
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-4.7518234
LogD (pH = 7.4)
-5.6396646
Log P
-2.3464332
Molar Refractivity
40.9178
Polarizability
16.632015
Polar Surface Area
124.29
Rotatable Bonds
6
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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