Molecule

ID:129976

General Information
Structure
MolImage
Molecular Formula
Ca₃O₈P₂
Molecular Mass
310.176722
Exact Mass
309.79461316
Charge
0
InChI
InChI=1S/3Ca.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6
InChIKey
QORWJWZARLRLPR-UHFFFAOYSA-H
Canonic Smiles
[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2]
Isomeric Smiles
[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2]
Calculated Properties
JChem
LogD (pH = 7.4)
-3.97
LogD (pH = 5.5)
-3.39
Log P
-1.02
Rotatable Bonds
0
H Donor
0
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
1.80
Polar Surface Area
86.25
Polarizability
4.93
Molar Refractivity
11.29
LOG S
2.41
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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