7-[5-acetoxy-3-benzoyloxy-6-benzoyloxymethyl-4-(3,4,5-tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-5-hydroxy-2,2-dimethyl-hexahydro-benzo[1,3]dioxole-5-carboxylic acid | 342824-29-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 7-[5-acetoxy-3-benzoyloxy-6-benzoyloxymethyl-4-(3,4,5-tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-5-hydroxy-2,2-dimethyl-hexahydro-benzo[1,3]dioxole-5-carboxylic acid
• CAS: 342824-29-7
• 化学式: C₆₆H₇₀O₁₉
• 分子量: 1167.27
• InChiKey: NTZLDOVQADSLFC-HAUJSEQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.32
• 重原子数：
  85.0
• 可旋转键数：
  24.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  228.73
• 氢给体数：
  2.0
• 氢受体数：
  18.0

反应信息

• 作为产物：
  描述：

  7-[5-acetoxy-3-benzoyloxy-6-benzoyloxymethyl-4-(3,4,5-tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-5-hydroxy-2,2-dimethyl-hexahydro-benzo[1,3]dioxole-5-carboxylic acid 2-trimethylsilanyl-ethyl ester 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以90%的产率得到7-[5-acetoxy-3-benzoyloxy-6-benzoyloxymethyl-4-(3,4,5-tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-5-hydroxy-2,2-dimethyl-hexahydro-benzo[1,3]dioxole-5-carboxylic acid
  参考文献：
  名称：

  Synthesis of Gal determinant epitopes, their glycomimetic variants, and trimeric clusters—relevance to tumor associated antigens and to discordant xenografts

  摘要：

  The synthesis of Gal alpha1 --> 3Gal-quinic acid pseudo-trisaccharides and their elaboration into trimeric clusters is described. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00195-8