| 1040630-21-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• CAS: 1040630-21-4
• 化学式: C₁₈H₃₂N₂O₈S
• 分子量: 436.527
• InChiKey: NLFUCXMZNIPGBY-CABCVRRESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.25
• 重原子数：
  29.0
• 可旋转键数：
  15.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  148.1
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  ((2R,5S)-5-(hydroxymethyl)-3,6-dioxopiperazin-2-yl)methyl dodecanoate 在 三氧化硫-三乙胺复合物 作用下， 以 吡啶 为溶剂， 以88%的产率得到
  参考文献：
  名称：

  Hydrogen-Bond-Induced Hysteresis in the Compression/Relaxation of Monolayer Films

  摘要：

  Two stereoisomers of surfactants were synthesized in which a diketopiperazine ring was inserted between a hydrocarbon chain (variable length) and an anionic headgroup. It was found (by HPLC, conductivity, surface tension, and diffusion NMR) that these compounds have low solubilities in water, remarkably high Krafft temperatures, and low critical micelle concentrations. Of particular interest were the pressure/area isotherms of insoluable monolayers of nonionic analogues of the amphiphiles. These isotherms showed an unprecedented hysteresis but only during the first compression/relaxation cycle. Additional cycles were normal in that they lacked the original hysteresis. These results were attributed to diketopiperazine rings that initially lie flat on the water surface at the air/water interface. Compression flips the diketopiperazine rings so that they now reside roughly perpendicular to the interface in the stable hydrogen-bonded orientation where the rings occupy far less space.

  DOI：

  10.1021/ja803491y