Metabolite DACH platinum bis(Met) complex
- Name
- DACH platinum bis(Met) complex
- Description
- Not Available
- Structure
Structure for DACH platinum bis(Met) complex
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 541.54
Monoisotopic: 541.066892 - Chemical Formula
- C14H22N2O4PtS2
- InChI Key
- FSHHXTWYTMZLCF-YDFIKLQRSA-L
- InChI
- InChI=1S/C14H24N2O4S2.Pt/c17-13(18)11(5-7-21)15-9-3-1-2-4-10(9)16-12(6-8-22)14(19)20;/h9-12,21-22H,1-8H2,(H,17,18)(H,19,20);/q-2;+4/p-2/t9-,10-,11?,12?;/m1./s1
- IUPAC Name
- (7R,12R)-2,17-dithia-6,13-diaza-1-platinatetracyclo[11.4.0.0^{1,6}.0^{7,12}]heptadecane-5,14-dicarboxylic acid
- SMILES
- OC(=O)C1CCS[Pt]23SCCC(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 -3.8 Chemaxon pKa (Strongest Acidic) 0.8 Chemaxon pKa (Strongest Basic) 13.08 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 86.45 m3·mol-1 Chemaxon Polarizability 37.55 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