(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6S)-4,5-bis(benzoyloxy)-2-((benzoyloxy)methyl)-6-(((dec-9-en-1-yloxy)(methoxy)phosphoryl)methyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(((methoxy(vinyl)phosphoryl)oxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl tribenzoate | 669071-12-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6S)-4,5-bis(benzoyloxy)-2-((benzoyloxy)methyl)-6-(((dec-9-en-1-yloxy)(methoxy)phosphoryl)methyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(((methoxy(vinyl)phosphoryl)oxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl tribenzoate
• CAS: 669071-12-9
• 化学式: C₆₉H₇₄O₂₁P₂
• 分子量: 1301.28
• InChiKey: WPSHADNFQNJLSB-AYKPQCRTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.62
• 重原子数：
  92.0
• 可旋转键数：
  33.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  256.55
• 氢给体数：
  0.0
• 氢受体数：
  21.0

反应信息

• 作为反应物：
  描述：

  (2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6S)-4,5-bis(benzoyloxy)-2-((benzoyloxy)methyl)-6-(((dec-9-en-1-yloxy)(methoxy)phosphoryl)methyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(((methoxy(vinyl)phosphoryl)oxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl tribenzoate 在 苯硫酚 、 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 37.0h， 生成 dec-9-enoxy-[[(2S,3S,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-[[2-(dimethylamino)ethyl-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phosphinic acid
  参考文献：
  名称：

  Synthesis of potential bisubstrate inhibitors of Leishmania elongating α-d-mannosyl phosphate transferase

  摘要：

  Synthesis of a potential mechanism-based bisubstrate inhibitor 1 of the elongating alpha-D-mannosyl phosphate transferase in Leishmania, comprising a guanosine subunit bound to the synthetic acceptor substrate through the methylenebisphosphonate linker, as well as its analogues 2 and 3 has been successfully accomplished. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.11.022
• 作为产物：
  描述：

  在 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 17.0h， 生成 (2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6S)-4,5-bis(benzoyloxy)-2-((benzoyloxy)methyl)-6-(((dec-9-en-1-yloxy)(methoxy)phosphoryl)methyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(((methoxy(vinyl)phosphoryl)oxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl tribenzoate
  参考文献：
  名称：

  Synthesis of potential bisubstrate inhibitors of Leishmania elongating α-d-mannosyl phosphate transferase

  摘要：

  Synthesis of a potential mechanism-based bisubstrate inhibitor 1 of the elongating alpha-D-mannosyl phosphate transferase in Leishmania, comprising a guanosine subunit bound to the synthetic acceptor substrate through the methylenebisphosphonate linker, as well as its analogues 2 and 3 has been successfully accomplished. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.11.022