3-((2S,3R,4S,5S,6R)-3,4,5-Triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-ylsulfanyl)-2-((2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-ylsulfanylmethyl)-propionic acid | 142913-91-5

• 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: 3-((2S,3R,4S,5S,6R)-3,4,5-Triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-ylsulfanyl)-2-((2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-ylsulfanylmethyl)-propionic acid
• CAS: 142913-91-5
• 化学式: C₃₂H₄₄O₂₀S₂
• 分子量: 812.821
• InChiKey: KTJPUEYXZZDQAO-BYFVAVFTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.32
• 重原子数：
  54.0
• 可旋转键数：
  17.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  266.16
• 氢给体数：
  1.0
• 氢受体数：
  21.0

反应信息

• 作为反应物：
  描述：

  单-6-O-氨基-Β-环糊精 、 3-((2S,3R,4S,5S,6R)-3,4,5-Triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-ylsulfanyl)-2-((2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-ylsulfanylmethyl)-propionic acid 在 sodium methylate 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 生成
  参考文献：
  名称：

  α-d-mannosyl- and β-d-galactosyl derivatives of cyclodextrins.

  摘要：

  The syntheses of S-alpha-D-mannosyl- and S-beta-D-galactosyl-6-thio-cyclomaltoheptaoses have been achieved in high yield from 6-deoxy-6-iodo-CD and activated 1-thiosugars. "Cluster 1-thioglycosides" were also obtained by coupling these activated 1-thiosugars to 3-bromo-2-(bromomethyl)-propionic acid and then by attaching these bi-antennary structures to 6-amino-6-deoxy-CD through an amide linkage.

  DOI：

  10.1016/s0040-4039(00)79830-3
• 作为产物：
  描述：

  3-溴-2-溴甲基丙酸 、 2,3,4,6-四-O-乙酰基-1-硫代-BETA-D-吡喃半乳糖 在 caesium carbonate 作用下， 以 丙酮 为溶剂， 生成 3-((2S,3R,4S,5S,6R)-3,4,5-Triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-ylsulfanyl)-2-((2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-ylsulfanylmethyl)-propionic acid
  参考文献：
  名称：

  α-d-mannosyl- and β-d-galactosyl derivatives of cyclodextrins.

  摘要：

  The syntheses of S-alpha-D-mannosyl- and S-beta-D-galactosyl-6-thio-cyclomaltoheptaoses have been achieved in high yield from 6-deoxy-6-iodo-CD and activated 1-thiosugars. "Cluster 1-thioglycosides" were also obtained by coupling these activated 1-thiosugars to 3-bromo-2-(bromomethyl)-propionic acid and then by attaching these bi-antennary structures to 6-amino-6-deoxy-CD through an amide linkage.

  DOI：

  10.1016/s0040-4039(00)79830-3