Molecule

ID:105705

General Information
Structure
MolImage
Molecular Formula
Ca₅HO₁₃P₃
Molecular Mass
502.311423
Exact Mass
501.67595488
Charge
0
InChI
InChI=1S/5Ca.3H3O4P.H2O/c;;;;;3*1-5(2,3)4;/h;;;;;3*(H3,1,2,3,4);1H2/q5*+2;;;;/p-10
InChIKey
XYJRXVWERLGGKC-UHFFFAOYSA-D
Canonic Smiles
[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[OH-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2]
Isomeric Smiles
[OH-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]
Calculated Properties
JChem
Acid pKa
1.7961261
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-3.3916447
LogD (pH = 7.4)
-3.9718332
Log P
-1.0201038
Molar Refractivity
11.2868
Polarizability
5.564544
Polar Surface Area
86.25
Rotatable Bonds
0
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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