Molecule ID: 68740

IUPAC Name: (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid

Description: The molecule is an imidazole compound having a 2,2-bis(phosphono)-2-hydroxyethane-1-yl substituent at the 1-position. It has a role as a bone density conservation agent. It is a member of imidazoles and a 1,1-bis(phosphonic acid).

SMILES: O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O

SELFIES: [O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][P][=Branch1][C][=O][Branch1][C][O][O]

InChI: InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)

Molecular Properties:
- Polar Surface Area: 153.0 Ų
- LogP: -4.3