2-({[(3beta)-胆甾-5-烯-3-基氧基](羟基)磷酰}氧基)-N,N,N-三甲基乙铵 | 65956-64-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 中文名称: 2-({[(3beta)-胆甾-5-烯-3-基氧基](羟基)磷酰}氧基)-N,N,N-三甲基乙铵
• 英文名称: cholesterol phosphocholine
• 英文别名: 3-Cholest-5-enyl-phosphorylcholin；[2-(cholesteryloxy-hydroxy-phosphoryloxy)-ethyl]-trimethyl-ammonium betaine；[2-(Cholesteryloxy-hydroxy-phosphoryloxy)-aethyl]-trimethyl-ammonium-betain；2-(trimethylammonio)ethyl cholest-5-en-3β-yl hydrogen phosphate；cholesteryl phosphoryl choline；Cholesteryl-phosphocholine；[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-(trimethylazaniumyl)ethyl phosphate
• CAS: 65956-64-1
• 化学式: C₃₂H₅₈NO₄P
• 分子量: 551.791
• InChiKey: MWEZHNCHKXEIBJ-RWFZIKKDSA-N

物化性质

• 熔点：
  286-288 °C

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  38
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  58.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 安全说明：
  S22,S24/25
• WGK Germany：
  3

反应信息

• 作为产物：
  描述：

  cholesterol 在 四氯化碳 作用下， 生成 2-({[(3beta)-胆甾-5-烯-3-基氧基](羟基)磷酰}氧基)-N,N,N-三甲基乙铵
  参考文献：
  名称：

  Hirt; Berchtold, Pharmaceutica Acta Helvetiae, 1958, vol. 33, p. 349,350

  摘要：

  DOI：

文献信息

• SYNTHESIS OF PHOSPHORIC ESTERS
  申请人：Gluesenkamp Karl Heinz

  公开号：US20120215006A1

  公开（公告）日：2012-08-23

  The present invention relates to a process for the preparation of phosphoric esters, and to selected compounds.

  这项发明涉及一种磷酸酯的制备过程，以及选定的化合物。
• Cationic Amphiphiles of Methylphosphonates and Cholesterol Phosphocholines and Their Homo Derivatives
  作者：D. A. Predvoditelev、M. A. Malenkovskaya、E. E. Nifant'ev

  DOI：10.1023/b:rugc.0000016015.55496.b9

  日期：2003.10

  A method of synthesis of (P-->O) and (P-->N)-choline cholesteryl methylphosphonates and their homo derivatives of the cationic type is developed. These compounds were obtained by the Arbuzov reaction between bromomethane and cyclic cholesteryl phosphorous esters and amidoesters and subsequent aminolysis of the intermediate bromoalkyl phosphonates. Alkylation of trimethylamine with cholesteryl ethanediyl and propanediyl phosphates gives cholesterol phosphocholines and their homo derivatives.
• Synthesis of lecithin analogs by means of cyclic enediol phosphates. Derivatives of 1-octadecanol and of cholesterol
  作者：Fausto Ramirez、Hiroshi Okazaki、James F. Marecek

  DOI：10.1021/jo00406a005

  日期：1978.6