tricalcium propane-1,2,3-triol diphosphate

Systemtic Name: tricalcium propane-1,2,3-triol diphosphate Openeye Name: tricalcium glycerol diphosphate CAS Name: tricalcium propane-1,2,3-triol diphosphate IUPAC Name: tricalcium propane-1,2,3-triol diphosphate Traditional Name: tricalcium glycerol diphosphate Formula: C6H16Ca3O14P2 MolecularWeight: 494.364362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C3H8O3.3Ca.2H3O4P/c2*4-1-3(6)2-5;;;;2*1-5(2,3)4/h2*3-6H,1-2H2;;;;2*(H3,1,2,3,4)/q;;3*+2;;/p-6