tetracopper(2+) ion diacetate hexaoxoarsinite

• ChemBase ID: 107689
• Molecular Formular: C4H12As6Cu4O16
• Molecular Mass: 1019.84208
• Monoisotopic Mass: 1017.2605003
• SMILES: [Cu+2].[Cu+2].[Cu+2].[Cu+2].[O-][AsH]=O.[O-][AsH]=O.[O-][AsH]=O.[O-][AsH]=O.[O-][AsH]=O.[O-][AsH]=O.CC(=O)[O-].CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[O-][AsH]=O.[O-][AsH]=O.[O-][AsH]=O.[O-][AsH]=O.[O-][AsH]=O.[O-][AsH]=O.[Cu+2].[Cu+2].[Cu+2].[Cu+2]
• InChI: InChI=1S/2C2H4O2.6AsHO2.4Cu/c2*1-2(3)4;6*2-1-3;;;;/h2*1H3,(H,3,4);6*(H,2,3);;;;/q;;;;;;;;4*+2/p-8
• InChIKey: HTSABAUNNZLCMN-UHFFFAOYSA-F

NAMES AND DATABASE IDS

Names

• IUPAC name: tetracopper(2+) ion diacetate hexaoxoarsinite
• IUPAC Traditional name: tetracopper(2+) bis(acetate ion) hexakis(dihydridodioxidoarsenate(1-))
• Synonyms: ALIZARIN GREEN

Database IDs

• CAS Number: 4857-81-2
• PubChem SID: 162095453
• PubChem CID: 22833492

CALCULATED PROPERTIES

• Acid pKa: 4.54344
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• Molar Refractivity: 23.4808 cm^3
• Polarizability: 4.912116 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false