aluminium(3+) ion caesium(1+) ion disulfate

• ChemBase ID: 108145
• Molecular Formular: AlCsH3O8S2
• Molecular Mass: 355.036008
• Monoisotopic Mass: 354.81392369
• SMILES: [AlH3+3].[Cs+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[AlH3+3].[Cs+]
• InChI: InChI=1S/Al.Cs.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4
• InChIKey: YRAMACNQEYDINL-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: aluminium(3+) ion caesium(1+) ion disulfate
• IUPAC Traditional name: aluminium(3+) caesium(1+) disulfate
• Synonyms: CESIUM ALUMINUM SULFATE

Database IDs

• CAS Number: 7784-17-0
• PubChem SID: 162093979
• PubChem CID: 167056

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 11.5274 cm^3
• Polarizability: 6.037845 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05206237

MP Biomedicals Rare Chemical collection