bis($l^{1}-copper(1+) ion) ethane-1,2-diamine sulfate

• ChemBase ID: 112249
• Molecular Formular: C2H8Cu2N2O4S
• Molecular Mass: 283.25292
• Monoisotopic Mass: 281.87967275
• SMILES: [Cu+].[Cu+].NCCN.[O-]S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)[O-].NCCN.[Cu+].[Cu+]
• InChI: InChI=1S/C2H8N2.2Cu.H2O4S/c3-1-2-4;;;1-5(2,3)4/h1-4H2;;;(H2,1,2,3,4)/q;2*+1;/p-2
• InChIKey: ZNVGSGZKNLTDCL-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis($l^{1}-copper(1+) ion) ethane-1,2-diamine sulfate
• IUPAC Traditional name: dicopper(1+) ethylenediamine sulfate
• Synonyms: CUPROUS ETHYLENE DIAMINE SULFATE

Database IDs

• PubChem SID: 162106645
• PubChem CID: 25021472

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 11.5274 cm^3
• Polarizability: 6.037845 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05223148

MP Biomedicals Rare Chemical collection