Molecule ID: 1058

IUPAC Name: phosphono hydrogen phosphate

Description: The molecule is a monovalent inorganic anion obtained by deprotonation of one of the phosphate OH groups in diphosphoric acid. It is a diphosphate ion and a monovalent inorganic anion. It is a conjugate base of a diphosphoric acid. It is a conjugate acid of a diphosphate(2-).

SMILES: O=P([O-])(O)OP(=O)(O)O

SELFIES: [O][=P][Branch1][C][O-1][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O]

InChI: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-1

Molecular Properties:
- Polar Surface Area: 127.0 Ų
- LogP: -3.3