(6R,7R,8R,8aR)-6,8-Dihydroxy-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-thiopyran-2-yloxy)-hexahydro-oxazolo[3,4-a]pyridin-3-one | 209345-62-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (6R,7R,8R,8aR)-6,8-Dihydroxy-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-thiopyran-2-yloxy)-hexahydro-oxazolo[3,4-a]pyridin-3-one
• CAS: 209345-62-0
• 化学式: C₁₃H₂₁NO₉S
• 分子量: 367.377
• InChiKey: CVABAAJEYMLZOV-VOXHDCLVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.56
• 重原子数：
  24.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  160.15
• 氢给体数：
  6.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  (6R,7R,8R,8aR)-6,8-Dihydroxy-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-thiopyran-2-yloxy)-hexahydro-oxazolo[3,4-a]pyridin-3-one 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 生成 (2S,3R,4S,5S,6R)-2-((2R,3R,4R,5R)-3,5-Dihydroxy-2-hydroxymethyl-piperidin-4-yloxy)-6-hydroxymethyl-tetrahydro-thiopyran-3,4,5-triol
  参考文献：
  名称：

  Syntheses of and as potential inhibitors of

  摘要：

  1-deoxy-3-S-(1-thio-alpha-D-glucopyranosyl)-mannojirimycin and 1-deoxy-3-O-(5-thio-alpha-D-glucopyranosyl)mannojirimycin were chemically synthesized as potential inhibitors of endo-alpha-D-mannosidase. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00198-x
• 作为产物：
  描述：

  O-(2,3,4,6-tetra-O-acetyl-5-thio-α-D-glucopyranosyl)-trichloroacetimidate 在 氨 、 三乙基硅基三氟甲磺酸酯 、 sodium methylate 、 sodium 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 (6R,7R,8R,8aR)-6,8-Dihydroxy-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-thiopyran-2-yloxy)-hexahydro-oxazolo[3,4-a]pyridin-3-one
  参考文献：
  名称：

  Syntheses of and as potential inhibitors of

  摘要：

  1-deoxy-3-S-(1-thio-alpha-D-glucopyranosyl)-mannojirimycin and 1-deoxy-3-O-(5-thio-alpha-D-glucopyranosyl)mannojirimycin were chemically synthesized as potential inhibitors of endo-alpha-D-mannosidase. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00198-x