{[(3aS,4R,6R,6aS)-6-((R)-2,2-Dimethyl-[1,3]dioxolan-4-yl)-4-hydrazinocarbonyl-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylcarbamoyl]-methyl}-carbamic acid benzyl ester | 161086-26-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: {[(3aS,4R,6R,6aS)-6-((R)-2,2-Dimethyl-[1,3]dioxolan-4-yl)-4-hydrazinocarbonyl-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylcarbamoyl]-methyl}-carbamic acid benzyl ester
• CAS: 161086-26-6
• 化学式: C₂₃H₃₂N₄O₉
• 分子量: 508.528
• InChiKey: PZMLMZCXNIDEFG-LIGBSTKKSA-N

物化性质

• 沸点：
  756.619±60.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.382±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.21
• 重原子数：
  36.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  168.7
• 氢给体数：
  4.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  {[(3aS,4R,6R,6aS)-6-((R)-2,2-Dimethyl-[1,3]dioxolan-4-yl)-4-hydrazinocarbonyl-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylcarbamoyl]-methyl}-carbamic acid benzyl ester 在 盐酸 、 亚硝酸特丁酯 作用下， 生成 {[(3aS,4R,6R,6aS)-4-Azidocarbonyl-6-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylcarbamoyl]-methyl}-carbamic acid benzyl ester
  参考文献：
  名称：

  Tri- and tetra-peptides incorporating an α-amino acid at the anomeric position of mannofuranose

  摘要：

  The first examples of peptides containing an alpha-amino acid residue in which the alpha-carbon is also the anomeric position of a carbohydrate are described.

  DOI：

  10.1016/s0040-4039(00)78525-x
• 作为产物：
  描述：

  methyl (3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-[[2-(phenylmethoxycarbonylamino)acetyl]amino]-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carboxylate 在 一水合肼 作用下， 以 甲醇 为溶剂， 以87%的产率得到{[(3aS,4R,6R,6aS)-6-((R)-2,2-Dimethyl-[1,3]dioxolan-4-yl)-4-hydrazinocarbonyl-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylcarbamoyl]-methyl}-carbamic acid benzyl ester
  参考文献：
  名称：

  Tri- and tetra-peptides incorporating an α-amino acid at the anomeric position of mannofuranose

  摘要：

  The first examples of peptides containing an alpha-amino acid residue in which the alpha-carbon is also the anomeric position of a carbohydrate are described.

  DOI：

  10.1016/s0040-4039(00)78525-x