aluminium(3+) ion octahydrate arsorate

• ChemBase ID: 109523
• Molecular Formular: AlAsH19O12
• Molecular Mass: 313.046798
• Monoisotopic Mass: 312.99078568
• SMILES: O.O.O.O.O.O.O.O.[AlH3+3].[O-][As](=O)([O-])[O-]
• Canonical SMILES: [O-][As](=O)([O-])[O-].O.O.O.O.O.O.O.O.[AlH3+3]
• InChI: InChI=1S/Al.AsH3O4.8H2O/c;2-1(3,4)5;;;;;;;;/h;(H3,2,3,4,5);8*1H2/q+3;;;;;;;;;/p-3
• InChIKey: CHNKHEXWDMIYLG-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: aluminium(3+) ion octahydrate arsorate
• IUPAC Traditional name: aluminium(3+) octahydrate arsenate
• Synonyms: ALUMINUM ARSENATE OCTAHYDRATE

Database IDs

• CAS Number: 60763-04-4
• PubChem SID: 162095326
• PubChem CID: 24884165

CALCULATED PROPERTIES

• Acid pKa: 3.1531765
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.27436
• LogD (pH = 7.4): -4.5524263
• Log P: -1.21
• Molar Refractivity: 5.7716 cm^3
• Polarizability: 7.079688 Å^3
• Polar Surface Area: 86.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05211423

MP Biomedicals Rare Chemical collection