Molecule

ID:102472

General Information
Structure
MolImage
Molecular Formula
C₃H₇CaO₆P
Molecular Mass
210.135841
Exact Mass
209.96061555
Charge
0
InChI
InChI=1S/C3H9O6P.Ca/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2
InChIKey
IWIRHXNCFWGFJE-UHFFFAOYSA-L
Canonic Smiles
OCC(COP(=O)([O-])[O-])O.[Ca+2]
Isomeric Smiles
[Ca+2].OCC(O)COP(=O)([O-])[O-]
Calculated Properties
JChem
Acid pKa
1.5077547
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-4.366909
LogD (pH = 7.4)
-5.247459
Log P
-1.9625801
Molar Refractivity
29.1456
Polarizability
12.625253
Polar Surface Area
112.88
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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