(3aR,5S,7R,7aR)-7-(tert-Butyl-diphenyl-silanyloxy)-5-(2-hydroxy-2-methyl-propoxymethyl)-2,2-dimethyl-hexahydro-benzo[1,3]dioxol-5-ol | 198469-39-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3aR,5S,7R,7aR)-7-(tert-Butyl-diphenyl-silanyloxy)-5-(2-hydroxy-2-methyl-propoxymethyl)-2,2-dimethyl-hexahydro-benzo[1,3]dioxol-5-ol
• CAS: 198469-39-5
• 化学式: C₃₀H₄₄O₆Si
• 分子量: 528.761
• InChiKey: WDADQOMOPPGIOM-JALVRWGXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.76
• 重原子数：
  37.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  77.38
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (3aR,5S,7R,7aR)-7-(tert-Butyl-diphenyl-silanyloxy)-5-(2-hydroxy-2-methyl-propoxymethyl)-2,2-dimethyl-hexahydro-benzo[1,3]dioxol-5-ol 在 silver trifluoromethanesulfonate 、 溶剂黄146 作用下， 反应 2.0h， 生成
  参考文献：
  名称：

  Design and synthesis of sialyl Lex mimetics based on carbocyclic scaffolds derived from (−) quinic acid

  摘要：

  The synthesis of sialyl Lewis(x) mimetic anologs in which the D-glucosamine, D-galactose, and sialic acid residues are replaced individually with appropriate glycomimetics is described. A computational model for predicting bioactive conformations was tested. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10077-4
• 作为产物：
  描述：

  (3aR,5S,7R,7aR)-7-(tert-Butyl-diphenyl-silanyloxy)-5-hydroxymethyl-2,2-dimethyl-hexahydro-benzo[1,3]dioxol-5-ol 在 sodium hydride 、 臭氧 作用下， 以 various solvent(s) 为溶剂， 反应 6.0h， 生成 (3aR,5S,7R,7aR)-7-(tert-Butyl-diphenyl-silanyloxy)-5-(2-hydroxy-2-methyl-propoxymethyl)-2,2-dimethyl-hexahydro-benzo[1,3]dioxol-5-ol
  参考文献：
  名称：

  Design and synthesis of sialyl Lex mimetics based on carbocyclic scaffolds derived from (−) quinic acid

  摘要：

  The synthesis of sialyl Lewis(x) mimetic anologs in which the D-glucosamine, D-galactose, and sialic acid residues are replaced individually with appropriate glycomimetics is described. A computational model for predicting bioactive conformations was tested. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10077-4