tricopper(2+) ion diborate

• ChemBase ID: 107839
• Molecular Formular: B2Cu3O6
• Molecular Mass: 308.2564
• Monoisotopic Mass: 306.77689102
• SMILES: [Cu+2].[Cu+2].[Cu+2].[O-]B([O-])[O-].[O-]B([O-])[O-]
• Canonical SMILES: [O-]B([O-])[O-].[O-]B([O-])[O-].[Cu+2].[Cu+2].[Cu+2]
• InChI: InChI=1S/2BO3.3Cu/c2*2-1(3)4;;;/q2*-3;3*+2
• InChIKey: CQDTUBLRLRFEJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tricopper(2+) ion diborate
• IUPAC Traditional name: tricopper(2+) diborate
• Synonyms: CUPRIC BORATE

Database IDs

• CAS Number: 39290-85-2
• PubChem SID: 162094882
• PubChem CID: 170177

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

DETAILS

MP Biomedicals - 05205184

MP Biomedicals Rare Chemical collection