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Substance Name: Phosphonoacetic acid
RN: 4408-78-0
UNII: N919E46723
InChIKey: XUYJLQHKOGNDPB-UHFFFAOYSA-N

Note

  • A simple organophosphorus compound that inhibits DNA polymerase, especially in viruses and is used as an antiviral agent.

Molecular Formula

  • C2-H5-O5-P

Molecular Weight

  • 140.0305
 

Classification Codes

  • Anti-Infective Agents
  • Anti-Retroviral Agents
  • Antiviral Agents
  • Enzyme Inhibitors
  • Nucleic Acid Synthesis Inhibitors
  • Reverse Transcriptase Inhibitors
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Names and Synonyms

Name of Substance

  • Phosphonoacetic acid

MeSH Heading

  • Phosphonoacetic acid

Synonyms

  • 4-04-00-03612 (Beilstein Handbook Reference)
  • BRN 1764355
  • Carboxymethanephosphonic acid
  • EINECS 224-558-1
  • Fosfonet
  • NSC 18205
  • Phosphonoacetic acid
  • PPA
  • UNII-N919E46723

Systematic Names

  • Acetic acid, phosphono-
  • Phosphonoacetic acid

Registry Numbers

CAS Registry Number

  • 4408-78-0

FDA UNII

  • N919E46723

System Generated Number

  • 0004408780

Structure Descriptors

InChI

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

InChIKey

XUYJLQHKOGNDPB-UHFFFAOYSA-N

Smiles

P(CC(O)=O)(O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 200mg/kg (200mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 16, Pg. 132, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 143-146 deg C   EXP
log P (octanol-water) -0.640 (none)   EST
Water Solubility 3.92E+05 mg/L 0 EXP
Vapor Pressure 6.67E-07 mm Hg 25 EST
Henry's Law Constant 9.06E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.50E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.