[2-(1H-imidazol-5-yl)-1-oxidanyl-1-phosphonato-ethyl]phosphonic acid; tris(hydroxymethyl)-methyl-azanium

Systemtic Name: [2-(1H-imidazol-5-yl)-1-oxidanyl-1-phosphonato-ethyl]phosphonic acid; tris(hydroxymethyl)-methyl-azanium Openeye Name: [1-hydroxy-2-(1H-imidazol-5-yl)-1-phosphonato-ethyl]phosphonic acid; tris(hydroxymethyl)-methyl-ammonium CAS Name: [1-hydroxy-2-(1H-imidazol-5-yl)-1-phosphonatoethyl]phosphonic acid; tris(hydroxymethyl)-methylammonium IUPAC Name: [1-hydroxy-2-(1H-imidazol-5-yl)-1-phosphonatoethyl]phosphonic acid; tris(hydroxymethyl)-methylazanium Traditional Name: [1-hydroxy-2-(1H-imidazol-5-yl)-1-phosphonato-ethyl]phosphonic acid; methyl(trimethylol)ammonium Formula: C13H32N4O13P2 MolecularWeight: 514.359702

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](CO)(CO)CO.C[N+](CO)(CO)CO.C1=C(NC=N1)CC(O)(P(=O)(O)O)P(=O)([O-])[O-]

Isomeric SMILES

C[N+](CO)(CO)CO.C[N+](CO)(CO)CO.C1=C(NC=N1)CC(O)(P(=O)(O)O)P(=O)([O-])[O-]

InChI

InChI=1S/C5H10N2O7P2.2C4H12NO3/c8-5(15(9,10)11,16(12,13)14)1-4-2-6-3-7-4;2*1-5(2-6,3-7)4-8/h2-3,8H,1H2,(H,6,7)(H2,9,10,11)(H2,12,13,14);2*6-8H,2-4H2,1H3/q;2*+1/p-2