Suppr超能文献

阿巴卡韦甲醇2.5溶剂合物

Abacavir methanol 2.5-solvate.

作者信息

Pham Phuong-Truc T

机构信息

Department of Chemistry, Penn State Worthington Scranton, 120 Ridge View Drive, Dunmore, Pennsylvania 18512, USA.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 22;65(Pt 8):o1937. doi: 10.1107/S1600536809027743.

Abstract

THE STRUCTURE OF ABACAVIR (SYSTEMATIC NAME: {(1S,4R)-4-[2-amino-6-(cyclo-propyl-amino)-9H-purin-9-yl]cyclo-pent-2-en-1-yl}methanol), C(14)H(18)N(6)O·2.5CH(3)OH, consists of hydrogen-bonded ribbons which are further held together by additional hydrogen bonds involving the hydroxyl group and two N atoms on an adjacent purine. The asymmetric unit also contains 2.5 mol-ecules of methanol solvate which were grossly disordered and were excluded using SQUEEZE subroutine in PLATON [Spek, (2009 ▶). Acta Cryst. D65, 148-155].

摘要

阿巴卡韦的结构(系统命名:{(1S,4R)-4-[2-氨基-6-(环丙基氨基)-9H-嘌呤-9-基]环戊-2-烯-1-基}甲醇),化学式为C(14)H(18)N(6)O·2.5CH(3)OH,由氢键连接的带状结构组成,这些带状结构通过涉及羟基和相邻嘌呤上两个氮原子的额外氢键进一步结合在一起。不对称单元还包含2.5个甲醇溶剂化物分子,这些分子严重无序,使用PLATON软件中的SQUEEZE子程序将其排除[Spek, (2009 ▶). Acta Cryst. D65, 148 - 155]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f045/2977439/917a6046dddc/e-65-o1937-fig1.jpg

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验