(1R,2S)-1-[(2S,3S,6R,2'S,3'S,6'R)-6'-((1R,2S)-1-Hydroxy-3-mercapto-2-methyl-propyl)-3,3'-dimethyl-octahydro-[2,2']bipyranyl-6-yl]-3-mercapto-2-methyl-propan-1-ol | 144836-89-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (1R,2S)-1-[(2S,3S,6R,2'S,3'S,6'R)-6'-((1R,2S)-1-Hydroxy-3-mercapto-2-methyl-propyl)-3,3'-dimethyl-octahydro-[2,2']bipyranyl-6-yl]-3-mercapto-2-methyl-propan-1-ol
• CAS: 144836-89-5
• 化学式: C₂₀H₃₈O₄S₂
• 分子量: 406.651
• InChiKey: GMYUSNULULLXGI-DLZZHKMPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.21
• 重原子数：
  26.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  58.92
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (1R,2S)-1-[(2S,3S,6R,2'S,3'S,6'R)-6'-((1R,2S)-1-Hydroxy-3-mercapto-2-methyl-propyl)-3,3'-dimethyl-octahydro-[2,2']bipyranyl-6-yl]-3-mercapto-2-methyl-propan-1-ol 、 (2S,3S)-2-Dimethoxymethyl-3-methyl-tetrahydro-pyran 在 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 以85%的产率得到(2S,3S,6R,2'S,3'S,6'R)-3,3'-Dimethyl-6,6'-bis-[(2S,5S,6R)-5-methyl-2-((2S,3S)-3-methyl-tetrahydro-pyran-2-yl)-[1,3]oxathian-6-yl]-octahydro-[2,2']bipyranyl
  参考文献：
  名称：

  A podand analog of 18-crown-6

  摘要：

  Conformationally locked, chiral podands 3 and 4 am prepared and their ionophoric properties are studied. These host molecules have a cation-binding site with six oxygens arranged in the geometry found in the crystal structure of potassium 18-crown-6.

  DOI：

  10.1016/s0040-4039(00)77454-5
• 作为产物：
  描述：

  (1R,2R)-1-[(2R,5S,6S)-6-[(2S,3S,6R)-6-[(1R,2R)-1,3-dihydroxy-2-methylpropyl]-3-methyloxan-2-yl]-5-methyloxan-2-yl]-2-methylpropane-1,3-diol 在 lithium aluminium tetrahydride 、 偶氮二甲酸二异丙酯 、 三苯基膦 、 硫代乙酸 作用下， 生成 (1R,2S)-1-[(2S,3S,6R,2'S,3'S,6'R)-6'-((1R,2S)-1-Hydroxy-3-mercapto-2-methyl-propyl)-3,3'-dimethyl-octahydro-[2,2']bipyranyl-6-yl]-3-mercapto-2-methyl-propan-1-ol
  参考文献：
  名称：

  A podand analog of 18-crown-6

  摘要：

  Conformationally locked, chiral podands 3 and 4 am prepared and their ionophoric properties are studied. These host molecules have a cation-binding site with six oxygens arranged in the geometry found in the crystal structure of potassium 18-crown-6.

  DOI：

  10.1016/s0040-4039(00)77454-5

文献信息

• An 18-crown-6 derivative with only one conformation
  作者：Ge Li、W. Clark Still

  DOI：10.1021/ja00062a068

  日期：1993.5
• Two-point binding in podand acetals favors enantioselective complexation.
  作者：Ge Li、W. Clark Still

  DOI：10.1016/s0040-4039(00)61091-2

  日期：1992.9