(3aR,5S,6R,6aR)-6-((3aR,5S,6R,6aR)-2,2-dimethyl-6-(pivalamidooxy)-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamidooxy)-N-((3aR,5S,6R,6aR)-5-(isobutylcarbamoyl)-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxol-6-yloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide | 1087204-11-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3aR,5S,6R,6aR)-6-((3aR,5S,6R,6aR)-2,2-dimethyl-6-(pivalamidooxy)-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamidooxy)-N-((3aR,5S,6R,6aR)-5-(isobutylcarbamoyl)-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxol-6-yloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide
• 英文别名: (3aR,5S,6R,6aR)-6-[[(3aR,5S,6R,6aR)-6-[[(3aR,5S,6R,6aR)-6-(2,2-dimethylpropanoylamino)oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carbonyl]amino]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carbonyl]amino]oxy-2,2-dimethyl-N-(2-methylpropyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide
• CAS: 1087204-11-2
• 化学式: C₃₃H₅₂N₄O₁₆
• 分子量: 760.793
• InChiKey: WGTKNLJSRSCSKG-JTCHEJBNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  53
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  227
• 氢给体数：
  4
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  、 三甲基乙酰氯 在 碳酸氢钠 作用下， 以 二氯甲烷 、 水 为溶剂， 以57 mg的产率得到(3aR,5S,6R,6aR)-6-((3aR,5S,6R,6aR)-2,2-dimethyl-6-(pivalamidooxy)-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamidooxy)-N-((3aR,5S,6R,6aR)-5-(isobutylcarbamoyl)-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxol-6-yloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide
  参考文献：
  名称：

  β-Sugar Aminoxy Peptides As Rigid Secondary Structural Scaffolds

  摘要：

  Short homo-oligomers of a new building block, cis-beta(2,3)-furanoid sugar aminoxy acid. are designed, characterized. and found to exhibit rigid ribbon-like secondary structures composed of 5/7 bifurcated intramolecular hydrogen bonds.

  DOI：

  10.1021/jo801810z