2-[(2R,6S)-6-hydroxy-4,4-dimethyl-6-tetradecyl-morpholin-4-ium-2-yl]acetic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 2-[(2R,6S)-6-hydroxy-4,4-dimethyl-6-tetradecyl-morpholin-4-ium-2-yl]acetic acid
• 英文别名: 2-[(2R,6S)-6-hydroxy-4,4-dimethyl-6-tetradecylmorpholin-4-ium-2-yl]acetate
• 化学式: C₂₂H₄₃NO₄
• 分子量: 385.588
• InChiKey: HSPCYTRRYYAFIK-IRLDBZIGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  27
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  69.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  十六碳烯 在 chromium(VI) oxide 、 sodium hydroxide 、 N-溴代丁二酰亚胺(NBS) 、 硫酸 、 三氯化铁 作用下， 以 四氢呋喃 、 硝基甲烷 为溶剂， 反应 5.0h， 生成 2-[(2R,6S)-6-hydroxy-4,4-dimethyl-6-tetradecyl-morpholin-4-ium-2-yl]acetic acid
  参考文献：
  名称：

  Acylcarnitine analogues as topical, microbicidal spermicides.

  摘要：

  Acylcarnitine analogues, (+)-6-Carboxylatomethyl-2-alkyl-4,4-dimethylmorpholinium (Z-n, where n = the number of carbons in the alkyl chain), synthesized in multi-gram quantities show in vitro activities as spermicides, anti-HIV agents, and inhibitors of the growth of Candida albicans. Activity improves with increasing chain length. Compound Z-15 is a candidate for further study as a topical, microbicidal spermicide. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00423-0

文献信息

• Acylcarnitine analogues as topical, microbicidal spermicides.
  作者：Prashant S. Savle、Gustavo F. Doncel、Stephen D. Bryant、M. Patricia Hubieki、R. Graham Robinette、Richard D. Gandour

  DOI：10.1016/s0960-894x(99)00423-0

  日期：1999.9

  Acylcarnitine analogues, (+)-6-Carboxylatomethyl-2-alkyl-4,4-dimethylmorpholinium (Z-n, where n = the number of carbons in the alkyl chain), synthesized in multi-gram quantities show in vitro activities as spermicides, anti-HIV agents, and inhibitors of the growth of Candida albicans. Activity improves with increasing chain length. Compound Z-15 is a candidate for further study as a topical, microbicidal spermicide. (C) 1999 Elsevier Science Ltd. All rights reserved.