trisodium phosphoric acid tris(hexaoxotetratungstoxan-1-oylolate) hydrate

• ChemBase ID: 107822
• Molecular Formular: H5Na3O41PW12
• Molecular Mass: 2967.038171
• Monoisotopic Mass: 2968.18486605
• SMILES: O.[Na+].[Na+].[Na+].OP(=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
• Canonical SMILES: OP(=O)(O)O.O=[W](=O)O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)[O-].O=[W](=O)O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)[O-].O=[W](=O)O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)[O-].O.[Na+].[Na+].[Na+]
• InChI: InChI=1S/3Na.H3O4P.H2O.36O.12W/c;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;(H3,1,2,3,4);1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*-1
• InChIKey: VBTVBWPYDARGPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trisodium phosphoric acid tris(hexaoxotetratungstoxan-1-oylolate) hydrate
• IUPAC Traditional name: tripotassium phosphoric acid tris(hexaoxotetratungstoxan-1-oylolate) hydrate
• Synonyms: SODIUM PHOSPHOTUNGSTATE REAGENT GRADE

Database IDs

• CAS Number: 51312-42-6
• EC Number: 257-132-9
• PubChem SID: 162093715
• PubChem CID: 22836479

CALCULATED PROPERTIES

• Acid pKa: 12.463816
• H Acceptors: 9
• H Donor: 0
• LogD (pH = 5.5): -2.5338001
• LogD (pH = 7.4): -2.5338037
• Log P: -2.5338
• Molar Refractivity: 17.0367 cm^3
• Polarizability: 39.139507 Å^3
• Polar Surface Area: 187.31 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• RTECS: TH5775000
• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:22
• Safety Statements: S:36/37/39

Product Information

• Grade: REAGENT