(2S)-2-[[(2S)-2-[[(2S)-2-[[hydroxy-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]amino]propanoyl]-methylamino]propanoyl]amino]propanamide | 1196870-98-0

• 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
• 英文名称: (2S)-2-[[(2S)-2-[[(2S)-2-[[hydroxy-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]amino]propanoyl]-methylamino]propanoyl]amino]propanamide
• CAS: 1196870-98-0
• 化学式: C₅₀H₇₂N₁₂O₂₇P₄S₄
• 分子量: 1525.34
• InChiKey: WWRJPQCXUXLTMQ-VQUKRJRHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2
• 重原子数：
  97
• 可旋转键数：
  29
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  599
• 氢给体数：
  12
• 氢受体数：
  32

反应信息

• 作为产物：
  描述：

  methyl (2S)-2-[[(2S)-2-[methyl-[(2S)-2-[(2-sulfanylidene-1,3,2lambda5-oxathiaphospholan-2-yl)amino]propanoyl]amino]propanoyl]amino]propanoate 、 C₄₀H₅₂N₈O₂₃P₃PolS₃ 生成 (2S)-2-[[(2S)-2-[[(2S)-2-[[hydroxy-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]amino]propanoyl]-methylamino]propanoyl]amino]propanamide
  参考文献：
  名称：

  摘要：

  DOI：