Molecule ID: 23894

IUPAC Name: disodium;hydroxy-[1-hydroxy-1-[hydroxy(oxido)phosphoryl]ethyl]phosphinate

Description: The molecule is an organic sodium salt resulting from the replacement of two protons from etidronic acid (one from from each of the phosphonic acid groups) by sodium ions. It has a role as a bone density conservation agent, an antineoplastic agent and a chelator. It contains an etidronic acid(2-).

SMILES: CC(O)(P(=O)([O-])[O-])P(=O)(O)O.[Na+].[Na+]

SELFIES: [C][C][Branch1][C][O][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O-1][O-1][P][=Branch1][C][=O][Branch1][C][O][O].[Na+1].[Na+1]

InChI: InChI=1S/C2H8O7P2.2Na/c1-2(3,10(4,5)6)11(7,8)9;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-2

Molecular Properties:
- Polar Surface Area: 141.0 Ų
- LogP: nan