dodecatungsten(6+) ion phosphoric acid hexatriacontaoxidandiide

• ChemBase ID: 302838
• Molecular Formular: H3O40PW12
• Molecular Mass: 2880.053581
• Monoisotopic Mass: 2881.20499353
• SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].OP(=O)(O)O.[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6]
• Canonical SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].OP(=O)(O)O.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]
• InChI: InChI=1S/H3O4P.36O.12W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h(H3,1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;36*-2;12*+6
• InChIKey: QQLJRLAROZDONV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecatungsten(6+) ion phosphoric acid hexatriacontaoxidandiide
• IUPAC Traditional name: dodecatungsten(6+) ion phosphoric acid hexatriacontaoxidandiide
• Synonyms: 12-Phosphotungstic acid hydrate; 12-Tungstophosphate hydrate, Reagent Grade; 12-钨磷酸 水合物, 试剂级

Database IDs

• CAS Number: 12501-23-4
• MDL Number: MFCD00011342

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 14.6519 cm^3
• Polarizability: 5.927813 Å^3
• Polar Surface Area: 77.76 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 95°C

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3260
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45-60
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A