Molecular Identity
Phosphonoacetic acid
2-phosphonoacetic acid
PubChem CID: 546
Phosphonoacetic acid 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 EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor and an antiviral agent. It is a monocarboxylic acid and a member of phosphonic acids. It is functionally related to an acetic acid and a phosphonic acid. It is a conjugate acid of a hydrogen phosphonatoacetate(2-).
2D Structure
Properties
C2H5O5P
Molecular Formula
140.03
Molecular Weight
g/mol
139.9875
Exact Mass
Da
-2
XLogP
Drug-like (Lipinski: < 5)
94.8
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
133
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Phosphonoacetic acid4408-78-0FosfonetAcetic acid, phosphono-Carboxymethanephosphonic acidPhosphonacetic acidNSC-18205DTXSID2045107CHEBI:15732DTXCID0025107N919E46723NSC18205RefChem:862336Phosphonoacetate, Disodium224-558-1
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Phosphonoacetic acid
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