β-<(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy>-2-(5-hydroxy-2,4-dimethyl-1-oxo-2-hexenyl)-α,γ,ε-trimethyl-ς-<<3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl>oxy>-2-<2R-<2R(2E,4R,5R),2-(αR,βS,γR,ςS,εS)>>-oxiraneheptanoic | 105456-56-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: β-<(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy>-2-(5-hydroxy-2,4-dimethyl-1-oxo-2-hexenyl)-α,γ,ε-trimethyl-ς-<<3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl>oxy>-2-<2R-<2R(2E,4R,5R),2-(αR,βS,γR,ςS,εS)>>-oxiraneheptanoic
• 英文别名: β-[(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy]-2-(5-hydroxy-2,4-dimethyl-1-oxo-2-hexenyl)-α,γ,ε-trimethyl-ς-{[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy}-2-{2R-[2R(2E,4R,5R),2-(αR,βS,γR,ςS,εS)]}-oxiraneheptanoic
• CAS: 105456-56-2；111322-31-7
• 化学式: C₃₅H₆₁NO₁₂
• 分子量: 687.869
• InChiKey: YLEUUZSWTKHZMM-VUNGBXSWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.38
• 重原子数：
  48.0
• 可旋转键数：
  17.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  176.98
• 氢给体数：
  4.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  β-<(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy>-2-(5-hydroxy-2,4-dimethyl-1-oxo-2-hexenyl)-α,γ,ε-trimethyl-ς-<<3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl>oxy>-2-<2R-<2R(2E,4R,5R),2-(αR,βS,γR,ςS,εS)>>-oxiraneheptanoic 在 1,1,2,3-四甲基胍 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以73%的产率得到4-<(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy>-9-hydroxy-9-(5-hydroxy-2,4-dimethyl-1-oxo-2-hexenyl)-3,5,7-trimethyl-6-<<3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexapyranosyl>oxy>-<3R-<3R,4S,5R,6S,7S,9R(2E,4R,5R)>>-2-oxocanone
  参考文献：
  名称：

  Macrolide fundamental chemistry: sequential conversion of the 14-membered ring macrolide antibiotic oleandomycin to 12- and 10-membered ring macrocyclic lactone systems

  摘要：

  DOI：

  10.1021/jo00376a063
• 作为产物：
  描述：

  5-<(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy>-11-hydroxy-4,6,8,13,14-pentamethyl-7-<<3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl>oxy>-<1S-(1R,4S,6S,7R,8R,10S,11S,13S,14S,15S)>-spiro<2,12-dioxabicyclo<9.3.1>pentadecane-10,2'-ox> 在 四甲基胍 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 以37%的产率得到β-<(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy>-2-(5-hydroxy-2,4-dimethyl-1-oxo-2-hexenyl)-α,γ,ε-trimethyl-ς-<<3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl>oxy>-2-<2R-<2R(2E,4R,5R),2-(αR,βS,γR,ςS,εS)>>-oxiraneheptanoic
  参考文献：
  名称：

  Macrolide fundamental chemistry: sequential conversion of the 14-membered ring macrolide antibiotic oleandomycin to 12- and 10-membered ring macrocyclic lactone systems

  摘要：

  DOI：

  10.1021/jo00376a063