p-methoxyphenyl 3,4-di-O-benzoyl-6-O-(6-O-(3,4-di-O-benzoyl-2-deoxy-2-phthalimido-β-D-glucopyranosyl)-3,4-di-O-benzoyl-2-deoxy-2-phthalimido-β-D-glucopyranosyl)-2-deoxy-2-phthalimido-β-D-glucopyranoside | 395072-16-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: p-methoxyphenyl 3,4-di-O-benzoyl-6-O-(6-O-(3,4-di-O-benzoyl-2-deoxy-2-phthalimido-β-D-glucopyranosyl)-3,4-di-O-benzoyl-2-deoxy-2-phthalimido-β-D-glucopyranosyl)-2-deoxy-2-phthalimido-β-D-glucopyranoside
• CAS: 395072-16-9
• 化学式: C₉₁H₇₁N₃O₂₆
• 分子量: 1622.57
• InChiKey: UHPGXZAGAIOQNZ-GFTQWHKSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.62
• 重原子数：
  120.0
• 可旋转键数：
  25.0
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  354.78
• 氢给体数：
  1.0
• 氢受体数：
  26.0

反应信息

• 作为反应物：
  描述：

  p-methoxyphenyl 3,4-di-O-benzoyl-6-O-(6-O-(3,4-di-O-benzoyl-2-deoxy-2-phthalimido-β-D-glucopyranosyl)-3,4-di-O-benzoyl-2-deoxy-2-phthalimido-β-D-glucopyranosyl)-2-deoxy-2-phthalimido-β-D-glucopyranoside 在 甲胺 作用下， 以 乙醇 为溶剂， 反应 65.0h， 生成
  参考文献：
  名称：

  A Synthetic Pentasaccharide with GTPase Activity

  摘要：

  [GRAPHICS]The design, synthesis, and preliminary evaluation of the first example of synthetic pentasaccharide (1) that shows marked rate enhancement and specificity for the hydrolysis of GTP to GDP and orthophosphate (OP) are reported. At the concentration ratios of GTP/1 = 3.6 and GTP/Mg2+ = 1 (pH 7.1, 50 degreesC), a rate enhancement of about 500-fold was obtained.

  DOI：

  10.1021/ol010257h
• 作为产物：
  描述：

  在 盐酸 作用下， 以 甲醇 为溶剂， 以6.3 g的产率得到p-methoxyphenyl 3,4-di-O-benzoyl-6-O-(6-O-(3,4-di-O-benzoyl-2-deoxy-2-phthalimido-β-D-glucopyranosyl)-3,4-di-O-benzoyl-2-deoxy-2-phthalimido-β-D-glucopyranosyl)-2-deoxy-2-phthalimido-β-D-glucopyranoside
  参考文献：
  名称：

  A Synthetic Pentasaccharide with GTPase Activity

  摘要：

  [GRAPHICS]The design, synthesis, and preliminary evaluation of the first example of synthetic pentasaccharide (1) that shows marked rate enhancement and specificity for the hydrolysis of GTP to GDP and orthophosphate (OP) are reported. At the concentration ratios of GTP/1 = 3.6 and GTP/Mg2+ = 1 (pH 7.1, 50 degreesC), a rate enhancement of about 500-fold was obtained.

  DOI：

  10.1021/ol010257h