(2R,5R,6S,2'R,5'R,6'S)-5,5'-Dimethyl-2,2'-bis-((2R,3R)-3-methyl-tetrahydro-pyran-2-yl)-[6,6']bi[[1,3]oxathianyl] | 137595-61-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧硫烷类
• 英文名称: (2R,5R,6S,2'R,5'R,6'S)-5,5'-Dimethyl-2,2'-bis-((2R,3R)-3-methyl-tetrahydro-pyran-2-yl)-[6,6']bi[[1,3]oxathianyl]
• 英文别名: (2R,5R,6S)-5-methyl-6-[(2R,5R,6S)-5-methyl-2-[(2R,3R)-3-methyloxan-2-yl]-1,3-oxathian-6-yl]-2-[(2R,3R)-3-methyloxan-2-yl]-1,3-oxathiane
• CAS: 137595-61-0
• 化学式: C₂₂H₃₈O₄S₂
• 分子量: 430.673
• InChiKey: GZACOAXUDXWFBU-XCCNGPICSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  87.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (2R,5R,6S,2'R,5'R,6'S)-5,5'-Dimethyl-2,2'-bis-((2R,3R)-3-methyl-tetrahydro-pyran-2-yl)-[6,6']bi[[1,3]oxathianyl] 在 Oxone 作用下， 生成 (2R,5R,6S,2'R,5'R,6'S)-5,5'-Dimethyl-2,2'-bis-((2R,3R)-3-methyl-tetrahydro-pyran-2-yl)-[6,6']bi[[1,3]oxathianyl] 3,3,3',3'-tetraoxide
  参考文献：
  名称：

  Podand sulfones. Enantioselective receptors for peptidic ammonium ions

  摘要：

  Sulfone analogues of previously prepared tetrahydropyranoid podand receptors bind C-terminal amides and esters of alpha-amino acids with enantioselectivity as high as 80% ee. X-ray structures of the free receptor and several of its complexes are reported.

  DOI：

  10.1021/jo00025a002
• 作为产物：
  描述：

  (Z)-(S)-2-Methyl-non-3-en-1-ol 生成 (2R,5R,6S,2'R,5'R,6'S)-5,5'-Dimethyl-2,2'-bis-((2R,3R)-3-methyl-tetrahydro-pyran-2-yl)-[6,6']bi[[1,3]oxathianyl]
  参考文献：
  名称：

  Podand sulfones. Enantioselective receptors for peptidic ammonium ions

  摘要：

  Sulfone analogues of previously prepared tetrahydropyranoid podand receptors bind C-terminal amides and esters of alpha-amino acids with enantioselectivity as high as 80% ee. X-ray structures of the free receptor and several of its complexes are reported.

  DOI：

  10.1021/jo00025a002