methyl O-(4-amino-3-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1->2)-O-(4-amino-3-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1->2)-O-(4-amino-3-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1->2)-O-(4-amino-3-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1... | 115197-00-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl O-(4-amino-3-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1->2)-O-(4-amino-3-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1->2)-O-(4-amino-3-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1->2)-O-(4-amino-3-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1...
• 英文别名: methyl (4-amino-3-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1->2)-tris<(4-amino-3-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl-(1->2)>-4-amino-3-O-benzyl-α-D-mannopyranoside
• CAS: 115197-00-7
• 化学式: C₆₆H₈₉N₅O₁₆
• 分子量: 1208.46
• InChiKey: DPNSNWYCBUXPAF-XDWOKBROSA-N

物化性质

• 密度：
  1.30±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.82
• 重原子数：
  87.0
• 可旋转键数：
  24.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  288.78
• 氢给体数：
  6.0
• 氢受体数：
  21.0

反应信息

• 作为反应物：
  描述：

  methyl O-(4-amino-3-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1->2)-O-(4-amino-3-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1->2)-O-(4-amino-3-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1->2)-O-(4-amino-3-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1... 在 palladium on activated charcoal 氢气 作用下， 以 溶剂黄146 为溶剂， 20.0 ℃ 、5.0 kPa 条件下， 反应 13.0h， 生成 methyl O-(4,6-dideoxy-4-formamido-α-D-mannopyranosyl)-(1->2)-O-(4,6-dideoxy-4-formamido-α-D-mannopyranosyl)-(1->2)-O-(4,6-dideoxy-4-formamido-α-D-mannopyranosyl)-(1->2)-O-(4,6-dideoxy-4-formamido-α-D-mannopyranosyl)-(1->2)-4,6-dideoxy-4-formamido...
  参考文献：
  名称：

  Peters, Thomas; Bundle, David R., Canadian Journal of Chemistry, 1989, vol. 67, p. 491 - 496

  摘要：

  DOI：
• 作为产物：
  描述：

  methyl O-(2-O-acetyl-4-azido-3-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1->2)-O-(4-azido-3-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1->2)-4-azido-3-O-benzyl-4,6-dideoxy-α-D-mannopyranoside 在 4 A molecular sieve 、 硫化氢 、 sodium methylate 、 三氟甲烷磺酸甲酯 作用下， 以 吡啶 、 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 65.0h， 生成 methyl O-(4-amino-3-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1->2)-O-(4-amino-3-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1->2)-O-(4-amino-3-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1->2)-O-(4-amino-3-O-benzyl-4,6-dideoxy-α-D-mannopyranosyl)-(1...
  参考文献：
  名称：

  Peters, Thomas; Bundle, David R., Canadian Journal of Chemistry, 1989, vol. 67, p. 491 - 496

  摘要：

  DOI：

文献信息

• Synthesis of methyl α-glycosides of some higher oligosaccharide fragments of the O-antigen of Vibrio cholerae O1, serotype Inaba and Ogawa
  作者：Jian Zhang、Pavol Kováč

  DOI：10.1016/s0008-6215(97)00070-0

  日期：1997.5

  The title oligosaccharides, the tri- through the hexasaccharide in the Inaba series and the penta- and the hexasaccharide in the Ogawa series, have been synthesized using 1-thioglycosides of precursors to 3-O-benzyl-perosamine (4-amino-4,6-dideoxy-D-mannose) as building blocks and N-iodosuccinimide/silver triflate as a promoter. The azido groups in the assembled oligosaccharides were reduced to amino groups, which were then acylated using 2,4-O-benzylidene-3-deoxy-L-glycero-tetronic acid as the derivatizing reagent. Catalytic hydrogenolysis, simultaneously of the benzyl and benzylidene groups, gave the desired products that were characterized by H-1 and C-13 NMR spectroscopy. (C) 1997 Elsevier Science Ltd.