3-azanyl-1,1-diphosphonato-propan-1-ol pentahydrate

Systemtic Name: 3-azanyl-1,1-diphosphonato-propan-1-ol pentahydrate Openeye Name: 3-amino-1,1-diphosphonato-propan-1-ol pentahydrate CAS Name: 3-amino-1,1-diphosphonato-1-propanol pentahydrate IUPAC Name: 3-amino-1,1-diphosphonatopropan-1-ol pentahydrate Traditional Name: 3-amino-1,1-diphosphonato-propan-1-ol pentahydrate Formula: C3H17NO12P2-4 MolecularWeight: 321.114102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CN)C(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].O.O.O.O.O

Isomeric SMILES

C(CN)C(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].O.O.O.O.O

InChI

InChI=1S/C3H11NO7P2.5H2O/c4-2-1-3(5,12(6,7)8)13(9,10)11;;;;;/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11);5*1H2/p-4