trisodium dodecakis(trioxotungsten) phosphate

• ChemBase ID: 104520
• Molecular Formular: Na3O40PW12
• Molecular Mass: 2945.999071
• Monoisotopic Mass: 2947.15082627
• SMILES: [Na+].[Na+].[Na+].O=[W](=O)=O.[O-]P(=O)([O-])[O-].O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O
• Canonical SMILES: [O-]P(=O)([O-])[O-].O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.[Na+].[Na+].[Na+]
• InChI: InChI=1S/3Na.H3O4P.36O.12W/c;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;(H3,1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3
• InChIKey: JBCCVVLECRSHNJ-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trisodium dodecakis(trioxotungsten) phosphate
• IUPAC Traditional name: trisodium dodecakis(tungsten trioxide) phosphate
• Synonyms: Tungstophosphoric acid; PHOSPHOTUNGSTIC ACID

Database IDs

• CAS Number: 51312-42-6
• EC Number: 257-132-9
• PubChem SID: 162092747
• PubChem CID: 16210998

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 11.2868 cm^3
• Polarizability: 5.564544 Å^3
• Polar Surface Area: 86.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: TH5775000
• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:22
• Safety Statements: S:36/37/39

DETAILS

MP Biomedicals - 02156244

Sodium Salt
Crystalline