Hexadecanoic acid (R)-1-hexadecanoyloxymethyl-2-{methoxy-[(1R,2S,3S,4R,5R,6S)-3,4,5-tris-(bis-benzyloxy-thiophosphoryloxy)-2,6-bis-methoxymethoxy-cyclohexyloxy]-thiophosphoryloxy}-ethyl ester | 192060-78-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子
• 英文名称: Hexadecanoic acid (R)-1-hexadecanoyloxymethyl-2-{methoxy-[(1R,2S,3S,4R,5R,6S)-3,4,5-tris-(bis-benzyloxy-thiophosphoryloxy)-2,6-bis-methoxymethoxy-cyclohexyloxy]-thiophosphoryloxy}-ethyl ester
• CAS: 192060-78-9
• 化学式: C₈₈H₁₂₈O₂₀P₄S₄
• 分子量: 1758.13
• InChiKey: GVDIBIVITDRPPU-WCPFCVITSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  23.8
• 重原子数：
  116.0
• 可旋转键数：
  67.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  200.28
• 氢给体数：
  0.0
• 氢受体数：
  24.0

反应信息

• 作为反应物：
  描述：

  Hexadecanoic acid (R)-1-hexadecanoyloxymethyl-2-{methoxy-[(1R,2S,3S,4R,5R,6S)-3,4,5-tris-(bis-benzyloxy-thiophosphoryloxy)-2,6-bis-methoxymethoxy-cyclohexyloxy]-thiophosphoryloxy}-ethyl ester 在 三甲胺 作用下， 生成
  参考文献：
  名称：

  SYNTHESIS OF PHOSPHOROTHIOATE ANALOGS OF PHOSPHATIDYLINOSITOL 3,4,5-TRISPHOSPHATE

  摘要：

  Phosphorothioate analogs of phosphatidylinositol 3,4,5-trisphosphate have been synthesized using Me3N-Me3SiCl reagent in a critical exhaustive cleavage of O-benzyl phosphorothioate triester intermediates. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00196-0
• 作为产物：
  描述：

  1,2-二棕榈酰-sn-丙三醇 、 Thiophosphoric acid O,O'-dibenzyl ester O''-[(1S,2R,3R,4S,5R,6S)-2,3-bis-(bis-benzyloxy-thiophosphoryloxy)-5-(diisopropylamino-methoxy-phosphanyloxy)-4,6-bis-methoxymethoxy-cyclohexyl] ester 在 四氮唑 、 1,2,3,4,5,6,7,8-八硫杂环辛烷 作用下， 生成 Hexadecanoic acid (R)-1-hexadecanoyloxymethyl-2-{methoxy-[(1R,2S,3S,4R,5R,6S)-3,4,5-tris-(bis-benzyloxy-thiophosphoryloxy)-2,6-bis-methoxymethoxy-cyclohexyloxy]-thiophosphoryloxy}-ethyl ester
  参考文献：
  名称：

  SYNTHESIS OF PHOSPHOROTHIOATE ANALOGS OF PHOSPHATIDYLINOSITOL 3,4,5-TRISPHOSPHATE

  摘要：

  Phosphorothioate analogs of phosphatidylinositol 3,4,5-trisphosphate have been synthesized using Me3N-Me3SiCl reagent in a critical exhaustive cleavage of O-benzyl phosphorothioate triester intermediates. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00196-0