trisodium phosphonatoformate

• ChemBase ID: 169443
• Molecular Formular: CNa3O5P
• Molecular Mass: 191.950771
• Monoisotopic Mass: 191.91764257
• SMILES: C(=O)(P(=O)([O-])[O-])[O-].[Na+].[Na+].[Na+]
• Canonical SMILES: [O-]C(=O)P(=O)([O-])[O-].[Na+].[Na+].[Na+]
• InChI: InChI=1S/CH3O5P.3Na/c2-1(3)7(4,5)6;;;/h(H,2,3)(H2,4,5,6);;;/q;3*+1/p-3
• InChIKey: DFHAXXVZCFXGOQ-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trisodium phosphonatoformate
• IUPAC Traditional name: trisodium foscarnet(3-)
• Synonyms: 1,1-Dihydroxyphosphinecarboxylic Acid 1-Oxide Sodium Salt Hydrate; A 29622 Hydrate; EHB 776 Hydrate; Foscavir Hydrate; Gefin Hydrate; PFA Hydrate; Phosphonoformic Acid Trisodium Salt Hydrate; Triapten Hexahydrate; Trisodium Phosphonoformate Hexahydrate; Foscarnet Sodium Hexahydrate; 1,1-Dihydroxy-phosphinecarboxylic Acid 1-Oxide Sodium Salt Hydrate; Phosphono-formic Acid Trisodium Salt Hexahydrate; Foscarnet Sodium Hexahydrate; Trisodium Phosphonoformate Hexahydrate; Foscarnet Sodium

Database IDs

• CAS Number: 34156-56-4; 63585-09-163585-09-1
• PubChem SID: 162263575
• PubChem CID: 44561

CALCULATED PROPERTIES

• Acid pKa: -0.09567522
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -5.199673
• LogD (pH = 7.4): -7.582527
• Log P: -0.8303841
• Molar Refractivity: 27.6668 cm^3
• Polarizability: 7.5496984 Å^3
• Polar Surface Area: 103.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Refrigerator

Pharmacology Properties

• Target: Others

Product Information

• Salt Data: Sodium

DETAILS

Toronto Research Chemicals - F727400

Foscarnet inhibits viral DNA polymerase and reverse transcriptase. Foscarnet is used as an antiviral.

Toronto Research Chemicals - T886280

Type II Pi transporter inhibitor.

REFERENCES

• Helgstrand, E., et al.: Science, 201, 819 (1978)
• Reno, J.M., et al.: Antimicrob. Agents Chemother., 13, 188, (1978)
• Alenius, S., et al.: Arch. Virol., 60, 197 (1978)