Prototropic tautomerism of 9-methylguanine: quantum-mechanical investigation

1Glushenkov, AN, 1Hovorun, DM
1Institute of High Technology, Taras Shevchenko National University of Kyiv; Institute of Molecular Biology and Genetics of the NAS of Ukraine, Kyiv
Dopov. Nac. akad. nauk Ukr. 2014, 9:151-156
Section: Biophysics
Language: Russian

For the first time, the full molecular-zwitterionic 9-methylguanine family has been obtained in vacuum, water, DMSO, and the ε = 4 continuum. It is shown that it consists of 14 molecular tautomers and 18 zwitterions, 9 of which are ylides.

Keywords: 9-methylguanine, prototropic tautomerism