(R)-hexadecane-1,3-diyl bis(2-naphthoate) | 1383577-64-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (R)-hexadecane-1,3-diyl bis(2-naphthoate)
• CAS: 1383577-64-7
• 化学式: C₃₈H₄₆O₄
• 分子量: 566.781
• InChiKey: ZRGJNRNYDNNSJL-PSXMRANNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.47
• 重原子数：
  42.0
• 可旋转键数：
  18.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  3-羟基十六烷酸甲酯 在 吡啶 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 2.5h， 生成 (R)-hexadecane-1,3-diyl bis(2-naphthoate)
  参考文献：
  名称：

  Termination of the structural confusion between plipastatin A1 and fengycin IX

  摘要：

  Plipastatin A1 and fengycin IX were experimentally proven to be identical compounds, while these had been considered as diastereomers due to the permutation of the enantiomeric pair of Tyr in most papers. The H-1 NMR spectrum changed to become quite similar to that of plipastatin A1, when the sample which provided resembled spectrum of fengycin IX was treated with KOAc followed by LH-20 gel filtration. Our structural investigations disclosed that the structures of these molecules should be settled into that of plipastatin A1 by Umezawa (L-Tyr4 and D-Tyr10). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.04.040