(2R,3S,4S,5R,6R)-5-Acetoxy-6-((2R,3R,4S,5R,6S)-2-acetoxymethyl-6-{2-[2-(2-{2-[2-(2-azido-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-5-benzyloxy-4-methoxy-tetrahydro-pyran-3-yloxy)-3-hydroxy-4-methoxy-tetrahydro-pyran-2-carboxylic acid benzyl ester | 209802-99-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2R,3S,4S,5R,6R)-5-Acetoxy-6-((2R,3R,4S,5R,6S)-2-acetoxymethyl-6-{2-[2-(2-{2-[2-(2-azido-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-5-benzyloxy-4-methoxy-tetrahydro-pyran-3-yloxy)-3-hydroxy-4-methoxy-tetrahydro-pyran-2-carboxylic acid benzyl ester
• CAS: 209802-99-3
• 化学式: C₄₄H₆₃N₃O₁₉
• 分子量: 937.993
• InChiKey: ISJQDEXJIJHVSA-KZHWSHBCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.45
• 重原子数：
  66.0
• 可旋转键数：
  32.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  258.65
• 氢给体数：
  1.0
• 氢受体数：
  20.0

反应信息

• 作为反应物：
  描述：

  (2R,3S,4S,5R,6R)-5-Acetoxy-6-[(2R,3R,4S,5R)-2-acetoxymethyl-5-benzyloxy-4-methoxy-6-(2,2,2-trichloro-acetimidoyloxy)-tetrahydro-pyran-3-yloxy]-3,4-dimethoxy-tetrahydro-pyran-2-carboxylic acid benzyl ester 、 (2R,3S,4S,5R,6R)-5-Acetoxy-6-((2R,3R,4S,5R,6S)-2-acetoxymethyl-6-{2-[2-(2-{2-[2-(2-azido-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-5-benzyloxy-4-methoxy-tetrahydro-pyran-3-yloxy)-3-hydroxy-4-methoxy-tetrahydro-pyran-2-carboxylic acid benzyl ester 在 三氟甲磺酸三甲基硅酯 作用下， 以 二氯甲烷 为溶剂， 以64%的产率得到
  参考文献：
  名称：

  In vitro evaluation of synthetic heparin-like conjugates comprising different thrombin binding domains

  摘要：

  The syntheses of several heparin-like glycoconjugates (i.e., 16a-f) containing identical AT III binding domains (ABD) and spacers but different thrombin binding domains (TBDs) are described.(1) Biological activities of conjugates 16a-f indicate that the thrombin inhibitory activity is mainly determined by the charge density of the TBD moiety. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00196-6
• 作为产物：
  描述：

  (2R,3S,4S,5R,6R)-5-Acetoxy-6-[(2R,3R,4S,5R)-2-acetoxymethyl-5-benzyloxy-4-methoxy-6-(2,2,2-trichloro-acetimidoyloxy)-tetrahydro-pyran-3-yloxy]-4-methoxy-3-(4-oxo-pentanoyloxy)-tetrahydro-pyran-2-carboxylic acid benzyl ester 在 吡啶 、 三氟甲磺酸三甲基硅酯 、 乙酸肼 作用下， 以 二氯甲烷 为溶剂， 反应 2.17h， 生成 (2R,3S,4S,5R,6R)-5-Acetoxy-6-((2R,3R,4S,5R,6S)-2-acetoxymethyl-6-{2-[2-(2-{2-[2-(2-azido-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-5-benzyloxy-4-methoxy-tetrahydro-pyran-3-yloxy)-3-hydroxy-4-methoxy-tetrahydro-pyran-2-carboxylic acid benzyl ester
  参考文献：
  名称：

  In vitro evaluation of synthetic heparin-like conjugates comprising different thrombin binding domains

  摘要：

  The syntheses of several heparin-like glycoconjugates (i.e., 16a-f) containing identical AT III binding domains (ABD) and spacers but different thrombin binding domains (TBDs) are described.(1) Biological activities of conjugates 16a-f indicate that the thrombin inhibitory activity is mainly determined by the charge density of the TBD moiety. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00196-6