tripalmitin-d₉₃

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油脂
• 英文名称: tripalmitin-d₉₃
• 英文别名: Glyceryl tri(hexadecanoate-d31)；2,3-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoyloxy)propyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoate
• 化学式: C₅₁H₉₈O₆
• 分子量: 899.597
• InChiKey: PVNIQBQSYATKKL-JGBASCRPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.9
• 重原子数：
  57
• 可旋转键数：
  50
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  棕榈酸-d31 、 甘油 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以33%的产率得到tripalmitin-d₉₃
  参考文献：
  名称：

  Neutron diffraction of deuterated tripalmitin and the influence of shear on its crystallisation

  摘要：

  This neutron diffraction study of deuterated tripalmitin has provided further insight into a forensic observation of the crystallisation of lipids under high-shear conditions. To achieve this, an experimental set up was designed to enable simultaneous rheological data from a Couette cell to be recorded with neutron powder diffraction, enabling the influence of shear on the polymorph transformation on cooling to be monitored in real time. Tripalmitin was observed to directly transform from a liquid phase to a beta polymorph under the influence of shear. Although the liquid to beta transition was not observed to be influenced by shear rate, the degree of crystallinity, qualitatively denoted by an increase in the sharpness of the diffraction peaks, was observed at higher shear rates. Evidence is also presented that the rate of cooling influences the ordering in the beta-polymorph produced in zero shear conditions.

  DOI：

  10.1016/j.chemphyslip.2019.02.011