Hexadecanoic acid (R)-2-({2-[3-(2-{2-[((R)-2,3-bis-hexadecanoyloxy-propoxy)-hydroxy-phosphoryloxy]-ethylcarbamoyl}-ethyldisulfanyl)-propionylamino]-ethoxy}-hydroxy-phosphoryloxy)-1-hexadecanoyloxymethyl-ethyl ester | 136425-02-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油磷脂
• 英文名称: Hexadecanoic acid (R)-2-({2-[3-(2-{2-[((R)-2,3-bis-hexadecanoyloxy-propoxy)-hydroxy-phosphoryloxy]-ethylcarbamoyl}-ethyldisulfanyl)-propionylamino]-ethoxy}-hydroxy-phosphoryloxy)-1-hexadecanoyloxymethyl-ethyl ester
• 英文别名: [(2R)-3-[2-[3-[[3-[2-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-hydroxyphosphoryl]oxyethylamino]-3-oxopropyl]disulfanyl]propanoylamino]ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
• CAS: 136425-02-0
• 化学式: C₈₀H₁₅₄N₂O₁₈P₂S₂
• 分子量: 1558.18
• InChiKey: RLADIQILEKQZDI-JKISBZMSSA-N

物化性质

• 密度：
  1.058±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  25.9
• 重原子数：
  104
• 可旋转键数：
  87
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  326
• 氢给体数：
  4
• 氢受体数：
  20

反应信息

• 作为反应物：
  描述：

  Hexadecanoic acid (R)-2-({2-[3-(2-{2-[((R)-2,3-bis-hexadecanoyloxy-propoxy)-hydroxy-phosphoryloxy]-ethylcarbamoyl}-ethyldisulfanyl)-propionylamino]-ethoxy}-hydroxy-phosphoryloxy)-1-hexadecanoyloxymethyl-ethyl ester 、 [2-(Pyridin-2-yldisulfanyl)-ethyl]-carbamic acid (3S,8S,9S,10R,13R,14S,17R)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester 以 氯仿 为溶剂， 以56%的产率得到[(2R)-3-[2-[3-[2-[[(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]oxycarbonylamino]ethyldisulfanyl]propanoylamino]ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
  参考文献：
  名称：

  胆固醇在生物膜中的结构作用。

  摘要：

  DOI：

  10.1021/ja016199c
• 作为产物：
  描述：

  3,3'-二硫代二丙酸 二(N-羟基丁二酰亚胺酯) 、 L-磷脂酰乙醇胺 以 二氯甲烷 为溶剂， 反应 12.0h， 以64%的产率得到Hexadecanoic acid (R)-2-({2-[3-(2-{2-[((R)-2,3-bis-hexadecanoyloxy-propoxy)-hydroxy-phosphoryloxy]-ethylcarbamoyl}-ethyldisulfanyl)-propionylamino]-ethoxy}-hydroxy-phosphoryloxy)-1-hexadecanoyloxymethyl-ethyl ester
  参考文献：
  名称：

  A Chemical Sensor for the Liquid-Ordered Phase

  摘要：

  The mixing properties of exchangeable phospholipids, derived from 1,2-dipalmitoyl-sn-glycero3-phosphoethanolamine and 1,2-distearoyl-sn-glycero-3-phosphoethanolamine, with an exchangeable form of cholesterol have been used to monitor the transition from the liquid-disordered to the liquid-ordered phase in cholesterol-containing bilayers, made from 1,2-dipaimitoyl-sn-glycero-3-phosphocholine and 1,2-distearoyl-sn-glycero-3-phosphocholine, respectively.

  DOI：

  10.1021/ja0513988