Molecule

ID:130624

General Information
Structure
MolImage
Molecular Formula
H₁₂Na₅O₁₆P₃
Molecular Mass
475.955813
Exact Mass
475.8826656
Charge
0
InChI
InChI=1S/5Na.H5O10P3.6H2O/c;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6;;;;;;/h;;;;;(H,7,8)(H2,1,2,3)(H2,4,5,6);6*1H2/q5*+1;;;;;;;/p-5
InChIKey
FGXJOKTYAQIFRP-UHFFFAOYSA-I
Canonic Smiles
[O-]P(=O)(OP(=O)([O-])[O-])OP(=O)([O-])[O-].O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+]
Isomeric Smiles
O.O.O.O.O.O.[O-]P(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
Calculated Properties
JChem
Acid pKa
0.8897367
H Acceptors
8
H Donor
0
LogD (pH = 5.5)
-8.594191
LogD (pH = 7.4)
-9.564033
Log P
-1.8637007
Molar Refractivity
30.7892
Polarizability
15.037942
Polar Surface Area
184.97
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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