dialuminium(3+) ion magnesium(2+) ion bis(dihydroxysilanone) hydrate

• ChemBase ID: 125699
• Molecular Formular: Al2H12MgO7Si2++++++++
• Molecular Mass: 258.530156
• Monoisotopic Mass: 257.96027475
• SMILES: [AlH3+3].[AlH3+3].[Mg+2].O=[Si](O)O.O=[Si](O)O.O
• Canonical SMILES: O[Si](=O)O.O[Si](=O)O.O.[Mg+2].[AlH3+3].[AlH3+3]
• InChI: InChI=1S/2Al.Mg.2H2O3Si.H2O/c;;;2*1-4(2)3;/h;;;2*1-2H;1H2/q2*+3;+2
• InChIKey: HZVVJJIYJKGMFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dialuminium(3+) ion magnesium(2+) ion bis(dihydroxysilanone) hydrate
• IUPAC Traditional name: dialuminium(3+) ion magnesium(2+) ion bis(dihydroxysilanone) hydrate
• Synonyms: Dianeusine; Almasilate

Database IDs

• CAS Number: 71205-22-6
• PubChem SID: 162220049
• PubChem CID: 156054
• ATC CODE: A02AD05
• Chemspider ID: 137443
• Wikipedia Title: Almasilate

CALCULATED PROPERTIES

• Acid pKa: 3.8386958
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.9526522
• LogD (pH = 7.4): -3.6213615
• Log P: -1.3788
• Molar Refractivity: 6.5721 cm^3
• Polarizability: 4.826359 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true