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2 - ({3 - [(2R,4S,5R) - 4 - 羟基 - 5 - 羟甲基 - 2,3,4,5 - 四氢呋喃 - 2 - 基] - 5 - 甲基 - 2,6 - 二氧代 - 1,2,3,6 - 四氢嘧啶 - 1 - 基}甲基)异吲哚啉 - 1,3 - 二酮

2-({3-[(2R,4S,5R)-4-Hydr-oxy-5-hydroxy-methyl-2,3,4,5-tetra-hydro-furan-2-yl]-5-methyl-2,6-dioxo-1,2,3,6-tetra-hydro-pyrimidin-1-yl}meth-yl)isoindoline-1,3-dione.

作者信息

Bartholomä Mark Daniel, Ouellette Wayne, Zubieta Jon

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 31;65(Pt 2):o432-3. doi: 10.1107/S1600536809003365.

DOI:10.1107/S1600536809003365
PMID:21582018
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968204/
Abstract

The title compound, C(19)H(19)N(3)O(7), is a thymidine derivative and serves as an inter-mediate in the synthesis of a (99m)Tc radiolabeled nucleoside analog. Inter-molecular O-H⋯O hydrogen bonding is observed between the hydr-oxy functionalities of the ribose unit themselves as well as between a hydr-oxy group and an O atom of the phthalimide group of an adjacent mol-ecule. The mol-ecules are stacked on top of each other in the direction of the a axis. The crystal packing is further stabilized by weak intra- and inter-molecular C-H⋯O hydrogen bonds. The absolute configuration of the compound is known from the synthesis.

摘要

标题化合物C(19)H(19)N(3)O(7)是一种胸苷衍生物，用作(99m)Tc放射性标记核苷类似物合成中的中间体。在核糖单元自身的羟基官能团之间以及相邻分子的邻苯二甲酰亚胺基团的羟基与氧原子之间观察到分子间O-H⋯O氢键。分子沿a轴方向相互堆叠。晶体堆积通过弱的分子内和分子间C-H⋯O氢键进一步稳定。该化合物的绝对构型可从合成过程中得知。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e682/2968204/786701ca8641/e-65-0o432-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e682/2968204/786701ca8641/e-65-0o432-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e682/2968204/786701ca8641/e-65-0o432-fig1.jpg

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