Structure of 6,3' : 6,5'-Dianhydro-5,5-dibromo-5,6-dihydro-6,6-dihydroxy-1-(β-D-xylofuranosyl) uracil

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概要

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• The title compound, C_9H_8Br_2N_2O_6,crystallizes as hemihydrate in space group P6_2 with a=12.612 (1), c=13.431 (1) A, and Z=6. The structure was solved by a combination of the direct and the heavy atom methods and refined to an R value of 0.051. The novel structure having two oxygen bridges between the base and the sugar was confirmed by the analysis. The base is oriented anti with respect to the sugar with torsional angles C (6)-N (1)-C (1')-O (1')=57.2°and C (6)-N (1)-C(1')-C(2')=-55.6°, and the sugar ring is in a half-chair form, C(1')-endo-C(2')-exo. The oxygen atom of the water molecule lies on the two-fold axis and three independent hydrogen bonds connect the molecules of nucleoside and water in the crystals.

• 公益社団法人日本薬学会の論文
• 1984-06-25

著者

• 神谷 和秀

  Central Research Division Takeda Chemical Industries Ltd.

• 丸山 徳見

  School of Pharmacy, Tokushima Bunri University

• 本庄 美喜男

  School of Pharmacy, Tokushima Bunri University

• 和田 喜一

  Central Research Division, Takeda Chemical Industries, Ltd. Kusunoki-cho, Ikuta-ku, Kobe

• 本庄 美喜男

  Faculty Of Pharmaceutical Sciences Tokushima Bunri University

• 神谷 和秀

  Chemistry Research Laboratories Takeda Chemical Industries Ltd.

• 丸山 徳見

  徳島文理大 薬

• 和田 喜一

  Central Research Division Takeda Chemical Industries Ltd.

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