dialuminium(3+) ion triberyllium(2+) ion hexakis(oxosilanebis(olate))

• ChemBase ID: 107869
• Molecular Formular: Al2Be3H6O18Si6
• Molecular Mass: 543.549462
• Monoisotopic Mass: 542.8165964
• SMILES: [Be+2].[Be+2].[Be+2].[AlH3+3].[AlH3+3].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-]
• Canonical SMILES: [O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[Be+2].[Be+2].[Be+2].[AlH3+3].[AlH3+3]
• InChI: InChI=1S/2Al.3Be.6O3Si/c;;;;;6*1-4(2)3/q2*+3;3*+2;6*-2
• InChIKey: NJJFVOQXYCEZLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dialuminium(3+) ion triberyllium(2+) ion hexakis(oxosilanebis(olate))
• IUPAC Traditional name: dialuminium(3+) triberyllium(2+) hexakis(oxosilanebis(olate))
• Synonyms: BERYLLIUM ALUMINUM SILICATE

Database IDs

• CAS Number: 1302-52-9
• EC Number: 215-101-7
• PubChem SID: 162093543
• PubChem CID: 14767

CALCULATED PROPERTIES

• Acid pKa: 3.8386958
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.9526522
• LogD (pH = 7.4): -3.6213615
• Log P: -1.3788
• Molar Refractivity: 4.3287 cm^3
• Polarizability: 4.5841517 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• RTECS: DS1400000
• European Hazard Symbols: Flammable (F); Nature polluting (N)
• Risk Statements: R:15-17-58
• Safety Statements: S:7/8-61

DETAILS

MP Biomedicals - 05205281

MP Biomedicals Rare Chemical collection