Metabolite DACH platinum bis(Cys) complex
- Name
- DACH platinum bis(Cys) complex
- Description
- Not Available
- Structure
Structure for DACH platinum bis(Cys) complex
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 513.49
Monoisotopic: 513.035591 - Chemical Formula
- C12H18N2O4PtS2
- InChI Key
- FNLLQMULFQAQOZ-HYQVXADHSA-L
- InChI
- InChI=1S/C12H20N2O4S2.Pt/c15-11(16)9(5-19)13-7-3-1-2-4-8(7)14-10(6-20)12(17)18;/h7-10,19-20H,1-6H2,(H,15,16)(H,17,18);/q-2;+4/p-2/t7-,8-,9?,10?;/m1./s1
- IUPAC Name
- (1R,11R)-5,7-dithia-2,10-diaza-6-platinatetracyclo[9.4.0.0^{2,6}.0^{6,10}]pentadecane-3,9-dicarboxylic acid
- SMILES
- OC(=O)C1CS[Pt]23SCC(N2[C@@H]2CCCC[C@H]2N13)C(O)=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source logP -3.9 Chemaxon pKa (Strongest Acidic) 0.23 Chemaxon pKa (Strongest Basic) 12.06 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 81.08 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 76.94 m3·mol-1 Chemaxon Polarizability 33.9 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon