tetracosatungsten(6+) ion diphosphooxidane doheptacontaoxidandiide

• ChemBase ID: 303476
• Molecular Formular: O77P2W24
• Molecular Mass: 5706.061322
• Monoisotopic Mass: 5708.378293
• 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].[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].O=P(=O)OP(=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].[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].[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].[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].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].O=P(=O)OP(=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]
• InChI: InChI=1S/O5P2.72O.24W/c1-6(2)5-7(3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;72*-2;24*+6
• InChIKey: GKAVVQICQSCYRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetracosatungsten(6+) ion diphosphooxidane doheptacontaoxidandiide
• IUPAC Traditional name: tetracosatungsten(6+) ion diphosphooxidane doheptacontaoxidandiide
• Synonyms: Tungstophosphoric acid; Phosphotungstic acid hydrate; 磷钨酸水合物

Database IDs

• CAS Number: 12067-99-1
• EC Number: 235-087-6
• MDL Number: MFCD00041964
• Merck Index: 147364

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.4728
• LogD (pH = 7.4): -0.4728
• Log P: -0.4728
• Molar Refractivity: 20.7938 cm^3
• Polarizability: 8.441127 Å^3
• Polar Surface Area: 77.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Soluble in water, alcohol and ether
• Apperance: Powder

Safety Information

• RTECS: TH5650000
• 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-H303
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A