5′-Deoxy-5-Fluorouridine: Characterisation, Crystal Structure and Molecular Conformations Determined from X-Ray Powder Data

Sándor L. Bekö; David Urmann; Martin U. Schmidt

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5′-Deoxy-5-Fluorouridine: Characterisation, Crystal Structure and Molecular Conformations Determined from X-Ray Powder Data

机译：5'-脱氧-5-氟尿苷：表征，晶体结构和分子构象，由X射线粉末数据确定

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摘要

The title compound [systematic name: 1-[(1R,2R,3S,4R)-2,3-dihydroxy-4-methyltetrahydrofuranyl]-5-fluoropyrimidine-2,4(1H,3H)-dione], C9H11FN2O5, is a prodrug of 5-fluorouracil used as a cytostatic in cancer therapy. Its crystal structure was determined from laboratory X-ray powder diffraction data. The compound crystallises in the triclinic space group P1 with two molecules in the asymmetric unit. These symmetrically independent molecules differ in their hydrogen-bond patterns, the pseudorotational angles P of their furanosyl fragments as well as their N-glycosidic torsion angles χ.

机译：标题化合物[系统名称：1-[（（1R，2R，3S，4R）-2,3-二羟基-4-甲基四氢呋喃基] -5-氟嘧啶-2,4（1H，3H）-二酮]，C9 H11 FN2 O5 是5-氟尿嘧啶的前药，在癌症治疗中具有抑制细胞生长的作用。由实验室X射线粉末衍射数据确定其晶体结构。该化合物在不对称单元中有两个分子的三斜空间群P1中结晶。这些对称独立的分子的氢键模式，呋喃糖基片段的假旋转角P以及N-糖苷扭转角χ不同。

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来源
《Journal of Chemical Crystallography》 |2012年第9期|p.933-940|共8页
作者
Sándor L. Bekö; David Urmann; Martin U. Schmidt;
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作者单位

Department of Chemistry, Institute of Inorganic and Analytical Chemistry, Goethe-University Frankfurt am Main, Max-von-Laue-Strasse 7, 60438, Frankfurt am Main, Germany;

Department of Chemistry, Institute of Inorganic and Analytical Chemistry, Goethe-University Frankfurt am Main, Max-von-Laue-Strasse 7, 60438, Frankfurt am Main, Germany;

Department of Chemistry, Institute of Inorganic and Analytical Chemistry, Goethe-University Frankfurt am Main, Max-von-Laue-Strasse 7, 60438, Frankfurt am Main, Germany;

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原文格式 PDF
正文语种 eng
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关键词
X-ray powder data; 5′-Deoxy-5-fluorouridine; Doxifluridin; 5′-dFURd; Prodrug;

机译：X射线粉末数据;5'-脱氧-5-氟尿苷;多西氟啶;5'-dFURd;前药;

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1. 5′-Deoxy-5-fluorouridine: Characterisation, crystal structure and molecular conformations determined from x-ray powder data [J] . Bek? S.L., Urmann D., Schmidt M.U. Journal of chemical crystallography . 2012,第9期

机译：5'-脱氧-5-氟尿苷：根据X射线粉末数据确定的特征，晶体结构和分子构象
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5′-Deoxy-5-Fluorouridine: Characterisation, Crystal Structure and Molecular Conformations Determined from X-Ray Powder Data

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