(7S,8S,16S,17S)-8,16-bis(butoxymethyl)-5,9,12,15,19-pentaoxatricosan-7,17-diol | 623948-09-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (7S,8S,16S,17S)-8,16-bis(butoxymethyl)-5,9,12,15,19-pentaoxatricosan-7,17-diol
• CAS: 623948-09-4
• 化学式: C₂₈H₅₈O₉
• 分子量: 538.763
• InChiKey: FOIUZINVIYTHID-LJWNLINESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.76
• 重原子数：
  37.0
• 可旋转键数：
  30.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  105.07
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  (7S,8S,16S,17S)-8,16-bis(butoxymethyl)-5,9,12,15,19-pentaoxatricosan-7,17-diol 在 palladium on activated charcoal 氢气 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 (4S,5S,13S,14S)-4,5,13,14-tetrabutoxymethyl-3,6,9,12,15-pentaoxa-21-azabicyclo-[15.3.1]heneicosa-17,20-diene-19(21H)-one
  参考文献：
  名称：

  Synthesis of new optically active pyridino- and pyridono-18-crown-6 type ligands containing four lipophilic chains

  摘要：

  Highly lipophilic enantiomerically pure pyridino- and pyridono-18-crown-6 type ligands containing four stereogenic centers to which butyl or butoxymethyl groups are attached have been synthesized. X-Ray analysis of the (R)-1-phenylethylammonium and benzylammonium perchlorate complexes of the unsubstituted pyridono ligand revealed, that, in contrast to the free ligand, in the complex the hydroxypyridine tautomer is present. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(03)00590-1
• 作为产物：
  描述：

  (S,S)-1,4-O,O'-dibutyl-2-O-benzylthreitol 在 palladium on activated charcoal 氢气 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 1.25h， 生成 (7S,8S,16S,17S)-8,16-bis(butoxymethyl)-5,9,12,15,19-pentaoxatricosan-7,17-diol
  参考文献：
  名称：

  Synthesis of new optically active pyridino- and pyridono-18-crown-6 type ligands containing four lipophilic chains

  摘要：

  Highly lipophilic enantiomerically pure pyridino- and pyridono-18-crown-6 type ligands containing four stereogenic centers to which butyl or butoxymethyl groups are attached have been synthesized. X-Ray analysis of the (R)-1-phenylethylammonium and benzylammonium perchlorate complexes of the unsubstituted pyridono ligand revealed, that, in contrast to the free ligand, in the complex the hydroxypyridine tautomer is present. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(03)00590-1