dialuminium(3+) ion triselenate

• ChemBase ID: 112797
• Molecular Formular: Al2H6O12Se3
• Molecular Mass: 488.883516
• Monoisotopic Mass: 491.69856589
• SMILES: [AlH3+3].[AlH3+3].[O-][Se](=O)(=O)[O-].[O-][Se](=O)(=O)[O-].[O-][Se](=O)(=O)[O-]
• Canonical SMILES: [O-][Se](=O)(=O)[O-].[O-][Se](=O)(=O)[O-].[O-][Se](=O)(=O)[O-].[AlH3+3].[AlH3+3]
• InChI: InChI=1S/2Al.3H2O4Se/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6
• InChIKey: JSMYWMXSQDUVSJ-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: dialuminium(3+) ion triselenate
• IUPAC Traditional name: dialuminium(3+) triselenate ion
• Synonyms: ALUMINUM SELENATE

Database IDs

• CAS Number: 14696-77-6
• PubChem SID: 162097563
• PubChem CID: 167146

CALCULATED PROPERTIES

• Acid pKa: 10.281616
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.6279072
• LogD (pH = 7.4): -1.6284668
• Log P: -1.6279
• Molar Refractivity: 18.8865 cm^3
• Polarizability: 4.39116 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05225873

MP Biomedicals Rare Chemical collection