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: C3H8Ca3O11P2 MolecularWeight: 402.270542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C3H8O3.3Ca.2H3O4P/c4-1-3(6)2-5;;;;2*1-5(2,3)4/h3-6H,1-2H2;;;;2*(H3,1,2,3,4)/q;3*+2;;/p-6