| 114262-34-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 114262-34-9
• 化学式: C₅₇H₉₆N₄O₄₁
• 分子量: 1493.39
• InChiKey: HAUWCWGLSFAGHO-AXARQDFESA-N

物化性质

• 沸点：
  1744.5±65.0 °C(predicted)
• 密度：
  1.71±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -17.22
• 重原子数：
  102.0
• 可旋转键数：
  27.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  688.91
• 氢给体数：
  25.0
• 氢受体数：
  41.0

反应信息

• 作为产物：
  描述：

  在 sodium methylate 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 5.0h， 以67%的产率得到
  参考文献：
  名称：

  Syntheses of linear tetra-, hexa-, and octa-saccharide fragments of the i-blood group active poly-(N-acetyl-lactosamine) series. Blockwise methods for the synthesis of repetitive oligosaccharide sequences

  摘要：

  N-Phthaloylation of lactosamine gave various glycosyl donors (beta-chloride, beta-trichloroacetimidate) and glycosyl acceptors (3',4'-diol). Coupling of the chloride with a methyl beta-D-glycoside led to the tetrasaccharide fragment, beta-D-Galp-(1----4)-beta-D-GlcpNac-(1----3)-beta-D-Galp-(1----4)- beta-D-GlcpNAcOMe. Acetolysis of the protected tetrasaccharide, followed by treatment with hydrogen chloride, gave a tetrasaccharide chloride which was coupled with the methyl beta-glycoside of lactosamine. A hexasaccharide fragment, [beta-D-Galp-(1----4)-beta-D-GlcpNAc-(1----3)]2-beta-D-Galp-(1----4)-bet a- D-GlcpNAcOMe, was thus obtained by this ("n + 1") method. A more efficient ("n + n") method was applied for the synthesis of an octasaccharide fragment, [beta-D-Galp-(1----4)-beta-D-GlcpNAc-(1----3)]3-beta-D-Galp- (1----4)-beta-D-GlcpNAcOMe (38), where di- and tetra-saccharide intermediates having a 3,4-O-isopropylidene-beta-D-galactopyranosyl nonreducing terminal group and a benzyl beta-D-glycoside group were precursors, either as glycosyl donors (beta-trichloroacetimidates) or glycosyl acceptors (3,4-diols as nonreducing terminal groups). Thus, doubling the length of the repetitive oligosaccharide sequence could be efficiently accomplished at each glycosylation step.

  DOI：

  10.1016/0008-6215(90)80002-k

文献信息

• Synthesis of an octasaccharide fragment of the polylactosamine series by a blockwise approach
  作者：Jocelyne Alais、Alain Veyrieres

  DOI：10.1016/s0040-4039(00)95508-4

  日期：1987.1