十二-缬氨霉素 | 13507-80-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 十二-缬氨霉素
• 英文名称: cyclo-(D-2-hydroxy-3-methyl-butyryl->D-valyl->L-2-hydroxy-3-methyl-butyryl->L-valyl->D-2-hydroxy-3-methyl-butyryl->D-valyl->L-2-hydroxy-3-methyl-butyryl->L-valyl->D-2-hydroxy-3-methyl-butyryl->D-valyl->L-2-hydroxy-3-methyl-butyryl->L-valyl)
• 英文别名: (3R)-3r,6c,9t,12t,15c,18c,21t,24t,27c,30c,33t,36t-dodecaisopropyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaaza-cyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecaone；Dodeca-valinomycin；(3S,6S,9R,12R,15S,18S,21R,24R,27S,30S,33R,36R)-3,6,9,12,15,18,21,24,27,30,33,36-dodeca(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
• CAS: 13507-80-7
• 化学式: C₆₀H₁₀₂N₆O₁₈
• 分子量: 1195.5
• InChiKey: GJZHKZVXVJEVDQ-MKGXFTDSSA-N

物化性质

• 沸点：
  1339.5±65.0 °C(Predicted)
• 密度：
  1.044±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  12
• 重原子数：
  84
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  332
• 氢给体数：
  6
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  D-valyl->L-2-hydroxy-3-methyl-butyryl->L-valyl->D-2-hydroxy-3-methyl-butyryl->D-valyl->L-2-hydroxy-3-methyl-butyryl->L-valyl->D-2-hydroxy-3-methyl-butyryl->D-valyl->L-2-hydroxy-3-methyl-butyryl->L-valyl->D-2-hydroxy-3-methyl-butyric acid; hydrobromide 生成 十二-缬氨霉素
  参考文献：
  名称：

  Shemyakin,M.M. et al., Journal of general chemistry of the USSR, 1966, vol. 36, p. 1401 - 1412

  摘要：

  DOI：