dialuminium(3+) ion tris(dioxotungstenbis(olate))

• ChemBase ID: 107070
• Molecular Formular: Al2H6O12W3
• Molecular Mass: 803.523516
• Monoisotopic Mass: 803.80179589
• SMILES: [W](=O)(=O)([O-])[O-].[W](=O)(=O)([O-])[O-].[W](=O)(=O)([O-])[O-].[AlH3+3].[AlH3+3]
• Canonical SMILES: [O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-].[AlH3+3].[AlH3+3]
• InChI: InChI=1S/2Al.12O.3W/q2*+3;;;;;;;6*-1
• InChIKey: AYUPOFGSVXZECO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dialuminium(3+) ion tris(dioxotungstenbis(olate))
• IUPAC Traditional name: dialuminium(3+) ion tritungstate
• Synonyms: ALUMINUM TUNGSTATE

Database IDs

• CAS Number: 15123-82-7
• EC Number: 239-184-4
• PubChem SID: 162092940
• PubChem CID: 22022515

CALCULATED PROPERTIES

• Acid pKa: 12.50004
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.7752
• LogD (pH = 7.4): -1.7752035
• Log P: -1.7752
• Molar Refractivity: 5.7716 cm^3
• Polarizability: 10.616612 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F)
• Risk Statements: R:15-17
• Safety Statements: S:7/8

DETAILS

MP Biomedicals - 05202440

MP Biomedicals Rare Chemical collection