trisodium hexahydrate phosphonatoformate

• ChemBase ID: 105968
• Molecular Formular: CH12Na3O11P
• Molecular Mass: 300.042451
• Monoisotopic Mass: 299.98103068
• SMILES: O.O.O.O.O.O.[Na+].[Na+].[Na+].[O-]C(=O)P(=O)([O-])[O-]
• Canonical SMILES: [O-]C(=O)P(=O)([O-])[O-].O.O.O.O.O.O.[Na+].[Na+].[Na+]
• InChI: InChI=1S/CH3O5P.3Na.6H2O/c2-1(3)7(4,5)6;;;;;;;;;/h(H,2,3)(H2,4,5,6);;;;6*1H2/q;3*+1;;;;;;/p-3
• InChIKey: ILRVASBWNRYBFD-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trisodium hexahydrate phosphonatoformate
• IUPAC Traditional name: trisodium foscarnet(3-) hexahydrate; tripotassium foscarnet(3-) hexahydrate
• Synonyms: Sodium phosphonoformate tribasic hexahydrate; Foscarnet; Phosphonoformic acid trisodium salt hexahydrate; PHOSPHONOFORMIC ACID; Foscarnet sodium hexahydrate; Sodium phosphonoformate hexahydrate; 磷酰基甲酸 三钠盐 六水合物; 膦甲酸; 膦甲酸钠 三元 六水合物; 六水磷甲酸钠

Database IDs

• CAS Number: 34156-56-4
• MDL Number: MFCD00150176
• PubChem SID: 24898799; 162092641; 24887462
• PubChem CID: 169569

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

Physical Property

• Solubility: H2O: soluble0.1 g/mL, clear, colorless (hot)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: SY8200000; SY8300000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Gene Information: human ... POLA1(5422), POLD1(5424), POLG(5428)rat ... Slc17a1(171080)

Product Information

• Purity: ~97%; ≥97.0% (NT); 98%; 98+%
• Impurities: 35-37% water
• Linear Formula: Na2O3PCO2Na · 6H2O

DETAILS

MP Biomedicals - 02195426

Trisodium Salt
Hexahydrate
Crystalline
Purity: ∼97%
Has activity as an antiviral agent.

Sigma Aldrich - P6801

包装
1, 5 g in poly bottle
250 mg in poly bottle

Sigma Aldrich - 79510

Other Notes
Antiviral agent1