cyclo[(1->4)-6-O-benzoyl-2,3-di-O-methyl-α-D-glucopyranosyl-(1->4)-2-deoxy-3,6-di-O-methyl-α-D-arabino-hexopyranosyl]trioside | 1119275-97-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: cyclo[(1->4)-6-O-benzoyl-2,3-di-O-methyl-α-D-glucopyranosyl-(1->4)-2-deoxy-3,6-di-O-methyl-α-D-arabino-hexopyranosyl]trioside
• 英文别名: [(1S,3R,5R,6R,8R,10R,11S,13R,15R,16R,18R,20R,21S,23R,25R,26R,28R,30R,31R,33S,34R,35R,37S,38R,39R,41S,42R)-15,25-bis(benzoyloxymethyl)-31,33,34,35,37,38,39,41,42-nonamethoxy-10,20,30-tris(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methyl benzoate
• CAS: 1119275-97-6
• 化学式: C₆₉H₉₆O₃₀
• 分子量: 1405.5
• InChiKey: XXPFTWSRDGKPAL-UXCLWUDSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  99
• 可旋转键数：
  27
• 环数：
  25.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  300
• 氢给体数：
  0
• 氢受体数：
  30

反应信息

• 作为产物：
  描述：

  ethyl 4-O-(6-O-benzoyl-2,3-di-O-methyl-α-D-glucopyranosyl)-2-deoxy-3,6-di-O-methyl-1-thio-α-D-arabino-hexopyranoside 在 N-碘代丁二酰亚胺 、 三氟甲磺酸 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以40%的产率得到cyclo[(1->4)-6-O-benzoyl-2,3-di-O-methyl-α-D-glucopyranosyl-(1->4)-2-deoxy-3,6-di-O-methyl-α-D-arabino-hexopyranosyl]dioside
  参考文献：
  名称：

  Synthesis of 2-deoxy cyclic and linear oligosaccharides by oligomerization of monomers

  摘要：

  Cyclic and linear oligosaccharides constituted with 2-deoxy sugar units are synthesized by an oligomerization reaction involving activated thioglycoside monomers, consisting of a 2-deoxy sugar unit. The oligomerization promoter plays an important role in the formation of either the cyclic- or the linear oligosaccharides. Encapsulation abilities of a 2-deoxy cyclic hexamer with p-nitrophenot, by a H-1 NMR method, showed complexation of the guest molecule with the host molecule. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2008.10.026