Exploring Atypical Fluorine-Hydrogen Bonds and Their Effects on Nucleoside Conformations was written by O’Reilly, Daniel; Stein, Robin S.; Patrascu, Mihai Burai; Jana, Sunit Kumar; Kurian, Jerry; Moitessier, Nicolas; Damha, Masad J.. And the article was included in Chemistry – A European Journal in 2018.Category: pyrimidines The following contents are mentioned in the article:
The ability of fluorine to serve as a hydrogen-bond acceptor has been debated for many years. Short fluorine-hydrogen contacts are thought to play a key role in stabilizing some complex supramol. systems. To directly probe the existence of fluorine-hydrogen bonds, we have performed NMR spectroscopy and computational modeling on a series of C2′-fluorinated nucleosides. Specifically, quantum mechanics/mol. mechanics (QM/MM) anal. and [19F,1H] HMBC NMR experiments provided direct evidence for a C-H…F hydrogen bond in a 2′-F,4′-C-α-alkyL-ribonucleoside analog. This interaction was also supported by QTAIM and NBO analyses, which confirmed a bond critical point for the C-H…F interaction (0.74 kcal mol-1). In contrast, although conformational anal. and NMR experiments of 2′-deoxy-2′-fluoro-arabinonucleosides indicated a close proximity between the 2′-fluorine and the H6/8 protons of the nucleobase, mol. simulations did not provide evidence for a C-H…F hydrogen bond. This study involved multiple reactions and reactants, such as 4-Amino-1-((2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one (cas: 56632-83-8Category: pyrimidines).
4-Amino-1-((2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one (cas: 56632-83-8) belongs to pyrimidine derivatives. Pyrimidine is an aromatic heterocyclic organic compound similar to pyridine. Drugs having the pyrimidine motif have manifested to exhibit gratifying biological activity like anticancer, antiviral, anti-inflammatory, antibacterial, and antihypertensive activities.Category: pyrimidines
56632-83-8;4-Amino-1-((2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one;The future of 56632-83-8;New trend of C9H12FN3O4;function of 56632-83-8