Molecule

ID:131811

General Information
Structure
MolImage
Molecular Formula
CaH₅O₆P
Molecular Mass
172.087861
Exact Mass
171.94496549
Charge
0
InChI
InChI=1S/Ca.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+2;;;/p-2
InChIKey
XAAHAAMILDNBPS-UHFFFAOYSA-L
Canonic Smiles
[O-]P(=O)(O)[O-].[Ca+2].O.O
Isomeric Smiles
O.O.OP(=O)([O-])[O-].[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
1
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
1.80
Polar Surface Area
83.42
Polarizability
5.24
Molar Refractivity
12.41
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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