methyl 2-methoxy-5,6-bis(methylthio)hexadecanoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl 2-methoxy-5,6-bis(methylthio)hexadecanoate
• 英文别名: Hexadecanoic acid, 2-methoxy-5,6-bis(methylthio)-, methyl ester；methyl 2-methoxy-5,6-bis(methylsulfanyl)hexadecanoate
• 化学式: C₂₀H₄₀O₃S₂
• 分子量: 392.668
• InChiKey: YZZBUIPLVZDXFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  25
• 可旋转键数：
  18
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  86.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  二甲基二硫 、 methyl (5Z)-2-methoxy-5-hexadecenoate 在 碘 作用下， 以 乙醚 为溶剂， 反应 24.0h， 生成 methyl 2-methoxy-5,6-bis(methylthio)hexadecanoate
  参考文献：
  名称：

  Novel naturally occurring α-methoxy acids from the phospholipids of caribbean sponges1

  摘要：

  The novel very long chain (5Z,9Z)-2-methoxy-5,9-hexacosadienoic acid (1) was identified in the phospholipids of the Caribbean sponge Tropsentia roquensis. The new acid (5Z)-2-methoxy-5-hexadecenoic acid (2) was also identified in the phospholipids of the sponge Mycale laxissima while the acid (6Z)-2-methoxy-6-hexadecenoic acid (3) was found to be present in the phospholipids of the Caribbean sponge Spheciospongia cuspidifera.. The double bond positions in the monounsatutared acids were determined by GC/MS on the corresponding dimethyldisulfide adducts and the double bond stereochemistry was elucidated by GC/FTIR. These fatty acids were found in phosphatidylethanolamine.

  DOI：

  10.1016/s0040-4020(01)88201-6