1-S-methyl-2,6-anhydro-1-deoxy-3,4,5,7-tetra-O-benzyl-D-glycero-D-gulo-heptitol | 199784-04-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-S-methyl-2,6-anhydro-1-deoxy-3,4,5,7-tetra-O-benzyl-D-glycero-D-gulo-heptitol
• CAS: 199784-04-8
• 化学式: C₃₆H₄₀O₅S
• 分子量: 584.777
• InChiKey: VSHAVGDXQHUFSV-FMRHBUHZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.09
• 重原子数：
  42.0
• 可旋转键数：
  15.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  46.15
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1-S-methyl-2,6-anhydro-1-deoxy-3,4,5,7-tetra-O-benzyl-D-glycero-D-gulo-heptitol 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以34%的产率得到1-methylsulfoxyl-2,6-anhydro-1-deoxy-3,4,5,7-tetra-O-benzyl-D-glycero-D-gulo-heptitol
  参考文献：
  名称：

  Studies on the synthesis of C-Glycoside sulfones as potential glycosyl transferase inhibitors

  摘要：

  beta-C-Glycoside sulfoxides and sulfones were prepared by radical addition of thiol acetic acid to exocyclic glycals followed by deacetylation, S-alkylation, and selective oxidation. These compounds are representative examples of a new class of molecules designed to be glycosyl transferase inhibitors. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)01021-1
• 作为产物：
  描述：

  2,6-anhydro-3,4,5,7-tetra-O-benzyl-1-deoxy-D-gluco-hept-1-enitol 在 偶氮二异丁腈 、 sodium methylate 作用下， 以 四氢呋喃 、 甲醇 、 苯 为溶剂， 反应 5.5h， 生成 1-S-methyl-2,6-anhydro-1-deoxy-3,4,5,7-tetra-O-benzyl-D-glycero-D-gulo-heptitol
  参考文献：
  名称：

  Studies on the synthesis of C-Glycoside sulfones as potential glycosyl transferase inhibitors

  摘要：

  beta-C-Glycoside sulfoxides and sulfones were prepared by radical addition of thiol acetic acid to exocyclic glycals followed by deacetylation, S-alkylation, and selective oxidation. These compounds are representative examples of a new class of molecules designed to be glycosyl transferase inhibitors. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)01021-1