Metabolite Diaquo DACH platinum

Name
Diaquo DACH platinum
Description
Not Available
Structure
Similar Structures
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 343.289
Monoisotopic: 343.084873
Chemical Formula
C6H16N2O2Pt
InChI Key
MRROQYWYIJIXRU-SKSSAGQDSA-N
InChI
InChI=1S/C6H12N2.2H2O.Pt/c7-5-3-1-2-4-6(5)8;;;/h5-8H,1-4H2;2*1H2;/q-2;;;+4/t5-,6-;;;/m1.../s1
IUPAC Name
[(3aR,7aR)-2-oxidaniumyl-octahydrocyclohexa[d]1,3-diaza-2-platinacyclopentan-2-yl]oxidanium
SMILES
[OH2+][Pt]1([OH2+])N[C@@H]2CCCC[C@H]2N1
Reactions
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Not Available
Predicted Properties
PropertyValueSource
logP-2.1Chemaxon
pKa (Strongest Acidic)14.62Chemaxon
pKa (Strongest Basic)16.91Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area51.24 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity82.77 m3·mol-1Chemaxon
Polarizability18.49 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon