| 187727-71-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 187727-71-5
• 化学式: C₅₁H₇₁NO₃₃
• 分子量: 1226.11
• InChiKey: ONQJPSJPFQRZCZ-LGRXEYJESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  85.0
• 可旋转键数：
  24.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  418.54
• 氢给体数：
  1.0
• 氢受体数：
  33.0

反应信息

• 作为反应物：
  描述：

  在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以91%的产率得到
  参考文献：
  名称：

  Synthesis of tetrasaccharides as possible metastatic inhibitors

  摘要：

  The synthesis is reported of the possible metastatic inhibitors - methyl beta-D-galactopyranosyl-(1 --> 4)-(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)-(1 --> 6)-beta-D-galactopyranosyl-(1 --> 4)-beta-D-glucopyranoside (11) and methyl beta-D-galactopyranosyl-(1 --> 4)-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-(1 --> 6)-beta-D-galactopyranosyl-(1 --> 4)-beta-D-glucopyranoside (14) - by procedures for regio- and stereo-selective coupling, reduction of azido groups, N-acetylation, and O-deacetylation. (C) 1996 Elsevier Science Ltd.

  DOI：

  10.1016/s0008-6215(96)00244-3
• 作为产物：
  描述：

  (2S,3R,4S,5S,6R)-2-(((2R,3S,4R,5R,6R)-4-acetoxy-2-(acetoxymethyl)-5-azido-6-(2,2,2-trichloro-1-iminoethoxy)tetrahydro-2H-pyran-3-yl)oxy)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate 在 palladium on activated charcoal 吡啶 、 三氟化硼乙醚 、 氢气 作用下， 以 甲醇 、 正己烷 、 二氯甲烷 为溶剂， -20.0 ℃ 、300.0 kPa 条件下， 反应 18.0h， 生成
  参考文献：
  名称：

  Synthesis of tetrasaccharides as possible metastatic inhibitors

  摘要：

  The synthesis is reported of the possible metastatic inhibitors - methyl beta-D-galactopyranosyl-(1 --> 4)-(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)-(1 --> 6)-beta-D-galactopyranosyl-(1 --> 4)-beta-D-glucopyranoside (11) and methyl beta-D-galactopyranosyl-(1 --> 4)-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-(1 --> 6)-beta-D-galactopyranosyl-(1 --> 4)-beta-D-glucopyranoside (14) - by procedures for regio- and stereo-selective coupling, reduction of azido groups, N-acetylation, and O-deacetylation. (C) 1996 Elsevier Science Ltd.

  DOI：

  10.1016/s0008-6215(96)00244-3