Investigation of the acid-base and electromigration properties of 5‐azacytosine derivatives using capillary electrophoresis and density functional theory calculations
Thermodynamic acidity constants of antiviral cidofovir analogs were determined by CE. PKa values calculated by DFT were in a good agreement with those determined by CE. Effective charges of 5-azacytosine derivatives at selected pH values were estimated. Effective and ionic mobilities of 5-azacytosine derivatives were determined. N3 atom of triazine ring was found to be preferably protonated by DFT calculations.