dodecatungsten(6+) ion silicic acid hexatriacontaoxidandiide

• ChemBase ID: 303458
• Molecular Formular: H4O40SiW12
• Molecular Mass: 2878.17326
• Monoisotopic Mass: 2879.21598346
• 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[Si](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].O[Si](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/H4O4Si.36O.12W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-4H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;36*-2;12*+6
• InChIKey: KYXPVQQFCQOIMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecatungsten(6+) ion silicic acid hexatriacontaoxidandiide
• IUPAC Traditional name: dodecatungsten(6+) ion silicic acid hexatriacontaoxidandiide
• Synonyms: Silicotungstic acid; Tungstosilicic acid hydrate, Reagent Grade; 钨硅酸水合物, 试剂级

Database IDs

• CAS Number: 12027-43-9
• MDL Number: MFCD00036271
• Merck Index: 148502

CALCULATED PROPERTIES

• Acid pKa: 9.822076
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -2.6008205
• LogD (pH = 7.4): -2.6024313
• Log P: -2.6008
• Molar Refractivity: 10.2584 cm^3
• Polarizability: 6.5655284 Å^3
• Polar Surface Area: 80.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Soluble in water
• Apperance: Crystalline

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A