| 218923-23-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 218923-23-0
• 化学式: C₁₈H₃₁FO₁₅
• 分子量: 506.434
• InChiKey: MRJSLHVYPCTUEM-YTJFHSSISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.6
• 重原子数：
  34.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  248.45
• 氢给体数：
  10.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 在 吡啶 、 Bacillus licheniformis recombinant (1->3),(1->4)-β-glucanase 作用下， 生成 (2,3,4,6-tetra-O-acetyl-β-D-glucoyranosyl)-(1-4)-(2,3,6-tri-O-acetyl-β-D-glucopyranosyl)-(1-3)-1,2,4,6-tetra-O-acetyl-D-glucopyranose 、
  参考文献：
  名称：

  Expeditious synthesis of a new hexasaccharide using transglycosylation reaction catalyzed by Bacillus (1→3),(1→4)-β-d-glucan 4-glucanohydrolase

  摘要：

  Enzymatic hydrolysis of barley (1-->3),(1-->4)-beta-D-glucan using a recombinant (1-->3),(1-->4)-beta-glucanase from Bacillus licheniformis gives Glc beta 4Glc beta 3Glc isolated after acetylation in 49% yield. Conventional treatment produced the corresponding beta-fluoride which was carefully de-O-acetylated. A transglycosylation reaction with this substrate, catalyzed by the title enzyme, gave Glc beta 4Glc beta 3Glc beta 4Glc beta 4Glc beta 3Glc in 20% yield. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0008-6215(98)00212-2
• 作为产物：
  描述：

  (2,3,4,6-tetra-O-acetyl-β-D-glucoyranosyl)-(1-4)-(2,3,6-tri-O-acetyl-β-D-glucopyranosyl)-(1-3)-1,2,4,6-tetra-O-acetyl-D-glucopyranose 在 氢溴酸 、 sodium methylate 、 silver fluoride 作用下， 以 甲醇 、 溶剂黄146 、 乙腈 为溶剂， 反应 23.0h， 生成
  参考文献：
  名称：

  Expeditious synthesis of a new hexasaccharide using transglycosylation reaction catalyzed by Bacillus (1→3),(1→4)-β-d-glucan 4-glucanohydrolase

  摘要：

  Enzymatic hydrolysis of barley (1-->3),(1-->4)-beta-D-glucan using a recombinant (1-->3),(1-->4)-beta-glucanase from Bacillus licheniformis gives Glc beta 4Glc beta 3Glc isolated after acetylation in 49% yield. Conventional treatment produced the corresponding beta-fluoride which was carefully de-O-acetylated. A transglycosylation reaction with this substrate, catalyzed by the title enzyme, gave Glc beta 4Glc beta 3Glc beta 4Glc beta 4Glc beta 3Glc in 20% yield. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0008-6215(98)00212-2