Molecule ID: 546

IUPAC Name: 2-phosphonoacetic acid

Description: The molecule is a member of the class of phosphonic acids that is phosphonic acid in which the hydrogen attached to the phosphorous is replaced by a carboxymethyl group. It has a role as an antiviral agent and an EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor. It is a monocarboxylic acid and a member of phosphonic acids. It derives from a phosphonic acid and an acetic acid. It is a conjugate acid of a hydrogen phosphonatoacetate(2-).

SMILES: O=C(O)CP(=O)(O)O

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

InChI: InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: -2.0