Evaluation of nucleotide C-Br···O-P contacts from ONIOM calculations: Theoretical insight into halogen bonding in nucleic acids was written by Xu, Lin;Sang, Peng;Zou, Jian-Wei;Xu, Ming-Biao;Li, Xue-Ming;Yu, Qing-Sen. And the article was included in Chemical Physics Letters in 2011.Recommanded Product: 5-Bromo-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione This article mentions the following:
Halogen bonding can direct the local stereochem. properties of nucleic acids by unique geometric preferences but has been inaccessible to most theor. studies. Using a two-layer ONIOM method, halogen bonds buried in nucleic acid environments were studied by modeling the nucleotide C-Br···O-P contacts in 1P54 and 1RLG (PDB code). Several unconventional methods, associated with the electron d. distributions of the interacting atoms, showed the formation of halogen bonds through visualization of such non-covalent interactions in real space. The contributions of halogen bonds to the local conformation of the backbones were also demonstrated through comparison with parallel binding of non-brominated nucleotides. In the experiment, the researchers used many compounds, for example, 5-Bromo-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione (cas: 957-75-5Recommanded Product: 5-Bromo-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione).
5-Bromo-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione (cas: 957-75-5) belongs to tetrahydrofuran derivatives. THF (Tetrahydrofuran) is water-miscible and has a low viscosity making it a highly versatile solvent used in a variety of industries. Oxidations have also proved to be valuable and efficient approaches to chiral tetrahydrofuran derivatives.Recommanded Product: 5-Bromo-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione
Referemce:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem