dialuminium(3+) ion dibarium(2+) ion pentaoxidandiide

• ChemBase ID: 108366
• Molecular Formular: Al2Ba2O5
• Molecular Mass: 408.614076
• Monoisotopic Mass: 409.74814436
• SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[AlH3+3].[AlH3+3].[Ba+2].[Ba+2]
• Canonical SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[AlH3+3].[AlH3+3].[Ba+2].[Ba+2]
• InChI: InChI=1S/2Al.2Ba.5O/q2*+3;2*+2;5*-2
• InChIKey: WIHSDLARTQXPRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dialuminium(3+) ion dibarium(2+) ion pentaoxidandiide
• IUPAC Traditional name: dialuminium(3+) dibarium(2+) pentakis(oxide(2-))
• Synonyms: BARIUM ALUMINATE

Database IDs

• CAS Number: 12004-04-5
• EC Number: 234-445-9
• PubChem SID: 162095629
• PubChem CID: 165926

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 13.1149 cm^3
• Polarizability: 1.8190874 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

DETAILS

MP Biomedicals - 05207118

MP Biomedicals Rare Chemical collection