3-4)-O-(tri-O-acetyl-β-D-glucopyranosyl)-(1->4)-tri-O-acetyl-β-D-glucopyranosyl>pent-1-ene | 222420-71-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-4)-O-(tri-O-acetyl-β-D-glucopyranosyl)-(1->4)-tri-O-acetyl-β-D-glucopyranosyl>pent-1-ene
• 英文别名: [(2R,3R,4S,5S,6S)-4,5-diacetyloxy-3-[(2S,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-pent-4-enyloxan-2-yl]methyl acetate
• CAS: 222420-71-5
• 化学式: C₄₃H₆₀O₂₅
• 分子量: 976.934
• InChiKey: JLYNDCVDKYQBIR-RTMXBJPTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  68
• 可旋转键数：
  31
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  309
• 氢给体数：
  0
• 氢受体数：
  25

反应信息

• 作为反应物：
  描述：

  3-4)-O-(tri-O-acetyl-β-D-glucopyranosyl)-(1->4)-tri-O-acetyl-β-D-glucopyranosyl>pent-1-ene 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以98%的产率得到3-4)-O-(β-D-glucopyranosyl)-(1->4)-O-β-D-glucopyranosyl>prop-1-ene
  参考文献：
  名称：

  The role of hydrolases in a synthesis of some epoxyalkyl β-C-cellobiosides

  摘要：

  An endoglucanase from Humicola insolens has been used to glycosylate a range of alkenyl beta-D-C-glucopyranosides with beta-lactosyl fluoride. The resulting trisaccharides have been subjected to the action of a commercial beta-galactosidase to form alkenyl beta-C-cellobiosides. Oxidation of these has given a range of epoxyalkyl beta-C-cellobiosides, putative inhibitors of cellobiohydrolases. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)01177-6
• 作为产物：
  描述：

  乙酸酐 、 3-4)-O-(β-D-glucopyranosyl)-(1->4)-O-β-D-glucopyranosyl>prop-1-ene 在 4-二甲氨基吡啶 作用下， 以 吡啶 为溶剂， 反应 24.0h， 生成 3-4)-O-(tri-O-acetyl-β-D-glucopyranosyl)-(1->4)-tri-O-acetyl-β-D-glucopyranosyl>pent-1-ene
  参考文献：
  名称：

  The role of hydrolases in a synthesis of some epoxyalkyl β-C-cellobiosides

  摘要：

  An endoglucanase from Humicola insolens has been used to glycosylate a range of alkenyl beta-D-C-glucopyranosides with beta-lactosyl fluoride. The resulting trisaccharides have been subjected to the action of a commercial beta-galactosidase to form alkenyl beta-C-cellobiosides. Oxidation of these has given a range of epoxyalkyl beta-C-cellobiosides, putative inhibitors of cellobiohydrolases. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)01177-6