Molecule

ID:110752

General Information
Structure
Molecular Formula
H₂Na₈O₁₆P₄
Molecular Mass
565.819484
Exact Mass
565.74748475
Charge
0
InChI
InChI=1S/8Na.2H4O7P2.H2O2/c;;;;;;;;2*1-8(2,3)7-9(4,5)6;1-2/h;;;;;;;;2*(H2,1,2,3)(H2,4,5,6);1-2H/q8*+1;;;/p-8
InChIKey
FKGKUYRSJYMGCN-UHFFFAOYSA-F
Canonic Smiles
[O-]P(=O)(OP(=O)([O-])[O-])[O-].[O-]P(=O)(OP(=O)([O-])[O-])[O-].OO.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Isomeric Smiles
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].OO.[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-]
Calculated Properties
JChem
Acid pKa
1.7026764
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
-5.945248
LogD (pH = 7.4)
-6.9029593
Log P
-1.4419023
Molar Refractivity
21.038
Polarizability
10.301113
Polar Surface Area
135.61
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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