| 1208999-32-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1208999-32-9
• 化学式: C₃₆H₃₆O₈
• 分子量: 596.677
• InChiKey: WZAMLEZFLGONPI-YKMXLWNGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.89
• 重原子数：
  44.0
• 可旋转键数：
  13.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  89.52
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  、 苯甲酰氯 、 苯甲醇 在 N-碘代丁二酰亚胺 、 三氟甲磺酸三甲基硅酯 、 sodium methylate 、 吡啶 作用下， 以 二氯甲烷 、 甲醇 为溶剂， 反应 16.0h， 以62%的产率得到
  参考文献：
  名称：

  Synthesis and Solution-Phase Conformation of the RG-I Fragment of the Plant Polysaccharide Pectin Reveals a Modification-Modulated Assembly Mechanism

  摘要：

  The syntheses of pure RG-I fragments of key plant matrix biomolecule pectin using a counterintuitive late-stage convergent cis-glycosylation has allowed detailed analyses of their solution-phase conformations, metal binding affinities, pK(a) values, self-assembly equilibria, and diffusional kinetics. These reveal a striking, right-handed 3(1)-helix that provides an effective and repeating lateral display of putative liganding carboxylates. Moreover, these heteropolymeric structures allow units as short as tetrasaccharides to self-assemble through carbohydrate-carbohydrate interactions that are induced by the presence of Ca(II), a known dynamic trigger in planta. These self-assembly properties can be switched simply by the addition or removal of a single methyl group in this repeating unit through methyl (de)esterification, another known dynamic trigger in planta. Together, the combined effect of Ca(II) and methylation revealed here suggests a concerted molecular basis for these two major dynamic modifications in planta.

  DOI：

  10.1021/ja9090963