2-氨基-7-氯-2'-脱氧结核菌素。
2-Amino-7-chloro-2'-deoxytubercidin.
作者信息
Seela Frank, Peng Xiaohua, Eickmeier Henning, Reuter Hans
机构信息
Laboratorium für Organische und Bioorganische Chemie, Institut für Chemie, Universität Osnabrück, Barbarastrasse 7, 49069 Osnabrück, Germany.
出版信息
Acta Crystallogr C. 2006 Oct;62(Pt 10):o593-5. doi: 10.1107/S0108270106032227. Epub 2006 Sep 12.
In 4-chloro-7-(2-deoxy-beta-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, C11H14ClN5O3, the conformation of the N-glycosylic bond is between anti and high-anti [chi = -102.5 (6) degrees]. The 2'-deoxyribofuranosyl unit adopts the C3'-endo-C4'-exo (3T4) sugar pucker (N-type) with P = 19.6 degrees and taum = 32.9 degrees [terminology: Saenger (1989). Landolt-Börnstein New Series, Vol. 1, Nucleic Acids, Subvol. a, edited by O. Madelung, pp. 1-21. Berlin: Springer-Verlag]. The orientation of the exocyclic C4'-C5' bond is +ap (trans) with a torsion angle gamma = 171.5 (4) degrees. The compound forms a three-dimensional network that is stabilized by four intermolecular hydrogen bonds (N-H...O and O-H...N) and one intramolecular hydrogen bond (N-H...Cl).
在4-氯-7-(2-脱氧-β-D-赤藓戊呋喃糖基)-7H-吡咯并[2,3-d]嘧啶-2,4-二胺（C11H14ClN5O3）中，N-糖苷键的构象介于反式和高反式之间[χ = -102.5 (6)°]。2'-脱氧核糖呋喃糖单元采用C3'-内-C4'-外（3T4）糖环构象（N型），P = 19.6°，τm = 32.9°[术语：森格尔（1989年）。《兰多尔特-伯恩斯坦新系列》，第1卷，核酸，a分卷，由O. 马德隆编辑，第1 - 21页。柏林：施普林格出版社]。环外C4'-C5'键的取向为+ap（反式），扭转角γ = 171.5 (4)°。该化合物形成三维网络，由四个分子间氢键（N-H...O和O-H...N）和一个分子内氢键（N-H...Cl）稳定。
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