octacalcium phosphate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 43
Total Number of Articles : 31
PubChem 123896
Molecular Formula

Ca4HO12P3

SMILES

OP(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2]

InChI

InChI=1S/4Ca.3H3O4P/c;;;;3*1-5(2,3)4/h;;;;3*(H3,1,2,3,4)/q4*+2;;;/p-8

synonyms
  • octacalcium phosphate
  • 13767-12-9
  • Phosphoric acid, calcium salt (3:4)
Click to show/hide the synonyms
Properties
Property Value
MW 446.23 g/mol
HBD 1
HBA 12
Rotatable Bond Count 0
Exact Mass 445.7184499 g/mol
Monoisotopic Mass 445.7184499 g/mol
Heavy Atom Count 19
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 7
Complexity 83.4
xlogp None
Topological Polar Surface Area 256