pentacalcium [oxidanidyl(phosphonatooxy)phosphoryl] phosphate pentahydroxide

Systemtic Name: pentacalcium [oxidanidyl(phosphonatooxy)phosphoryl] phosphate pentahydroxide Openeye Name: pentacalcium [oxido(phosphonatooxy)phosphoryl] phosphate pentahydroxide CAS Name: pentacalcium [oxido(phosphonatooxy)phosphoryl] phosphate pentahydroxide IUPAC Name: pentacalcium [oxido(phosphonatooxy)phosphoryl] phosphate pentahydroxide Traditional Name: pentacalcium [oxido(phosphato)phosphoryl] phosphate pentahydroxide Formula: Ca5H5O55P15-20 MolecularWeight: 1550.003115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/5Ca.5H5O10P3.5H2O/c;;;;;5*1-11(2,3)9-13(7,8)10-12(4,5)6;;;;;/h;;;;;5*(H,7,8)(H2,1,2,3)(H2,4,5,6);5*1H2/q5*+2;;;;;;;;;;/p-30