tricopper(2+) ion diphosphate

• ChemBase ID: 112179
• Molecular Formular: Cu3O8P2
• Molecular Mass: 380.580722
• Monoisotopic Mass: 378.69563272
• SMILES: [Cu+2].[Cu+2].[Cu+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]
• Canonical SMILES: [O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Cu+2].[Cu+2].[Cu+2]
• InChI: InChI=1S/3Cu.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6
• InChIKey: GQDHEYWVLBJKBA-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: tricopper(2+) ion diphosphate
• IUPAC Traditional name: tricopper(2+) diphosphate; tricopper(2+) ion diphosphate
• Synonyms: CUPRIC PHOSPHTE; copper(II) phosphate; tricopper bis(orthophosphate); Copper phosphate

Database IDs

• CAS Number: 7798-23-4
• PubChem SID: 162096900
• PubChem CID: 86469
• Chemspider ID: 77984
• Wikipedia Title: Copper_phosphate

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 11.2868 cm^3
• Polarizability: 5.564544 Å^3
• Polar Surface Area: 86.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: ''anhydrous:'' ; soluble in ammonia

  ---

  ''trihydrate:'' ; soluble in ammonium hydroxide ; slightly soluble in acetone ; insoluble in ethanol; insoluble in water
• Apperance: light bluish-green powder (anhydrous) ; blue or olive crystals (trihydrate)

DETAILS

MP Biomedicals - 05222829

MP Biomedicals Rare Chemical collection