(2r,4s)-1$l^{4}-thia-2-cupra-3-cupra-4-cupra-5-cuprapentacyclo[2.1.0.0^{1,3}.0^{2,4}.0^{2,5}]pentane

• ChemBase ID: 2850
• Molecular Formular: Cu4S
• Molecular Mass: 286.249
• Monoisotopic Mass: 283.690461
• SMILES: [Cu]12S34[Cu]5[Cu@]13[Cu@]245
• Canonical SMILES: [Cu]12[Cu@]34[Cu@]51S23[Cu]45
• InChI: InChI=1S/4Cu.S
• InChIKey: IGIWMDIIFLPFOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2r,4s)-1$l^{4}-thia-2-cupra-3-cupra-4-cupra-5-cuprapentacyclo[2.1.0.0^{1,3}.0^{2,4}.0^{2,5}]pentane
• IUPAC Traditional name: (2r,4s)-1$l^{4}-thia-2-cupra-3-cupra-4-cupra-5-cuprapentacyclo[2.1.0.0^{1,3}.0^{2,4}.0^{2,5}]pentane
• Synonyms: (Mu-4-Sulfido)-Tetra-Nuclear Copper Ion

Database IDs

• PubChem SID: 46506399; 160966297
• PubChem CID: 4628301

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.9957
• LogD (pH = 7.4): 0.9957
• Log P: 0.9957
• Molar Refractivity: 5.7558 cm^3
• Polarizability: 16.978992 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

DrugBank - DB03151

Drug information: experimental