trialuminium(3+) ion neodymium(3+) ion tetraborate

• ChemBase ID: 128566
• Molecular Formular: Al3B4H9NdO12
• Molecular Mass: 469.492874
• Monoisotopic Mass: 467.89896122
• SMILES: [AlH3+3].[Nd+3].[O-]B([O-])[O-].[AlH3+3].[AlH3+3].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-]
• Canonical SMILES: [O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[AlH3+3].[AlH3+3].[AlH3+3].[Nd+3]
• InChI: InChI=1S/3Al.4BO3.Nd/c;;;4*2-1(3)4;/q3*+3;4*-3;+3
• InChIKey: SHACWCBKHOKZKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trialuminium(3+) ion neodymium(3+) ion tetraborate
• IUPAC Traditional name: trialuminium(3+) ion neodymium(3+) ion tetraborate
• Synonyms: NAB; Neodymium aluminium borate

Database IDs

• PubChem SID: 162222873
• PubChem CID: 71308245
• Chemspider ID: 14427295
• Wikipedia Title: Neodymium_aluminium_borate

CALCULATED PROPERTIES

• Acid pKa: 8.698678
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5088733
• LogD (pH = 7.4): -0.52978307
• Log P: -0.5086
• Molar Refractivity: 4.3287 cm^3
• Polarizability: 3.917734 Å^3
• Polar Surface Area: 69.18 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true