| 1044594-68-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1044594-68-4
• 化学式: C₇₂H₉₉N₅O₁₈
• 分子量: 1322.6
• InChiKey: VNIGHVMIVOFZRL-OIQSQAJXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.93
• 重原子数：
  95.0
• 可旋转键数：
  30.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  315.08
• 氢给体数：
  6.0
• 氢受体数：
  23.0

反应信息

• 作为反应物：
  描述：

  、 乙酸酐 以 甲醇 为溶剂， 反应 16.0h， 生成 5-methoxycarbonylpentyl (4-acetamido-2-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1->3)-(4-acetamido-2-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1->2)-(4-acetamido-3-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1->3)-(4-acetamido-2-O-benzyl-...
  参考文献：
  名称：

  Synthesis of spacer-equipped di-, tri-, and the tetrasaccharide fragments of the deacetylated O-PS1 of Citrobacter gillenii O9a,9b, and a related pentasaccharide

  摘要：

  The title rhamnooligosaccharides [alpha-D-Rhap4NAc-(1 -> 3)-O(-D-Rhap4NAc-1-O-(CH2)(5)COOMe, alpha-D-Rhap4NAc-(1 -> 3)-alpha-D-Rhap4NAc-(1 3)-alpha-D-Rhap4NAc-1-O-(CH2)(5)COOMe, alpha-D-Rhap4NAc-(1 -> 2)-alpha-D-Rhap4NAc-(1 -> 3)-alpha-D-Rhap4NAc-(1 -> 3)-alpha-D-Rhap4NAc-1-O-(CH2)(5)COOMe, and alpha-D-Rhap4NAc-(1 -> 3)-alpha-D-Rhap4NAc-(1-2)-(alpha-D-Rhap4NAc-(1 -> 3)-alpha-D-Rhap4NAc(1 -> 3)-alpha-D-Rhap4NAc-1-O-(CH2)(5)COOMe] were synthesized in a stepwise fashion from 5-methoxycarbonylpentyl 4-azido-4, 6-dideoxy-2-O-benzyl-alpha-D-mannopyranoside and orthogonally protected 1-thioglycoside glycosyl donors. The amorphous, final products were fully characterized as corresponding per-O-acetyl derivatives. Published by Elsevier Ltd.

  DOI：

  10.1016/j.carres.2008.03.037
• 作为产物：
  描述：

  5-methoxycarbonylpentyl (4-azido-2-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1->3)-(4-azido-2-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1->2)-(4-azido-3-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1->3)-(4-azido-2-O-benzyl-4,6-dideoxy-α-D-... 在 硫化氢 作用下， 以 吡啶 、 水 为溶剂， 反应 16.5h， 生成
  参考文献：
  名称：

  Synthesis of spacer-equipped di-, tri-, and the tetrasaccharide fragments of the deacetylated O-PS1 of Citrobacter gillenii O9a,9b, and a related pentasaccharide

  摘要：

  The title rhamnooligosaccharides [alpha-D-Rhap4NAc-(1 -> 3)-O(-D-Rhap4NAc-1-O-(CH2)(5)COOMe, alpha-D-Rhap4NAc-(1 -> 3)-alpha-D-Rhap4NAc-(1 3)-alpha-D-Rhap4NAc-1-O-(CH2)(5)COOMe, alpha-D-Rhap4NAc-(1 -> 2)-alpha-D-Rhap4NAc-(1 -> 3)-alpha-D-Rhap4NAc-(1 -> 3)-alpha-D-Rhap4NAc-1-O-(CH2)(5)COOMe, and alpha-D-Rhap4NAc-(1 -> 3)-alpha-D-Rhap4NAc-(1-2)-(alpha-D-Rhap4NAc-(1 -> 3)-alpha-D-Rhap4NAc(1 -> 3)-alpha-D-Rhap4NAc-1-O-(CH2)(5)COOMe] were synthesized in a stepwise fashion from 5-methoxycarbonylpentyl 4-azido-4, 6-dideoxy-2-O-benzyl-alpha-D-mannopyranoside and orthogonally protected 1-thioglycoside glycosyl donors. The amorphous, final products were fully characterized as corresponding per-O-acetyl derivatives. Published by Elsevier Ltd.

  DOI：

  10.1016/j.carres.2008.03.037