5-methoxycarbonylpentyl (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-4,6-dideoxy-α-D-mannopyranosyl)-(1->3)-4-acetamido-2-O-benzyl-4,6-dideoxy... | 1044594-58-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-methoxycarbonylpentyl (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-4,6-dideoxy-α-D-mannopyranosyl)-(1->3)-4-acetamido-2-O-benzyl-4,6-dideoxy...
• CAS: 1044594-58-2
• 化学式: C₆₇H₉₀N₄O₁₉
• 分子量: 1255.47
• InChiKey: OKRMZAJNJWRRIZ-SIGBNOATSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.59
• 重原子数：
  90.0
• 可旋转键数：
  29.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  273.69
• 氢给体数：
  5.0
• 氢受体数：
  19.0

反应信息

• 作为反应物：
  描述：

  5-methoxycarbonylpentyl (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-4,6-dideoxy-α-D-mannopyranosyl)-(1->3)-4-acetamido-2-O-benzyl-4,6-dideoxy... 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 生成 5-methoxycarbonylpentyl (4-acetamido-4,6-dideoxy-α-D-mannopyranosyl)-(1->2)-(4-acetamido-4,6-dideoxy-α-D-mannopyranosyl)-(1->3)-(4-acetamido-4,6-dideoxy-α-D-mannopyranosyl)-(1->3)-4-acetamido-4,6-dideoxy-α-D-mannopyranoside
  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：

  、 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->2)-(4-acetamido-3-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1->3)-(4-acetamido-2-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1->3)-4-acetamido-2-O-benzyl-4,6-dideoxy...
  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