3-(3,4-dioxo-2-ethoxycyclobut-1-enylamino)propyl α-D-mannopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-α-D-mannopyranosyl-(1->2)-α-D-mannopyranosyl-(1->2)-α-D-mannopyranoside | 1240408-18-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(3,4-dioxo-2-ethoxycyclobut-1-enylamino)propyl α-D-mannopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-α-D-mannopyranosyl-(1->2)-α-D-mannopyranosyl-(1->2)-α-D-mannopyranoside
• CAS: 1240408-18-7
• 化学式: C₄₅H₇₃NO₃₄
• 分子量: 1172.06
• InChiKey: ZQNIVCSJVQVUTR-NMUJWZHGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -13.58
• 重原子数：
  80.0
• 可旋转键数：
  24.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  550.53
• 氢给体数：
  20.0
• 氢受体数：
  35.0

反应信息

• 作为产物：
  描述：

  3-ethoxycyclobut-3-ene-1,2-dione 、 3-aminopropyl a-D-mannopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-α-D-mannopyranosyl-(1->2)-α-D-mannopyranosyl-(1->2)-α-D-mannopyranoside acetic acid 在 三乙胺 作用下， 以 乙醇 、 水 为溶剂， 反应 24.0h， 以80%的产率得到3-(3,4-dioxo-2-ethoxycyclobut-1-enylamino)propyl α-D-mannopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-α-D-mannopyranosyl-(1->2)-α-D-mannopyranosyl-(1->2)-α-D-mannopyranoside
  参考文献：
  名称：

  Synthesis of 3,6-branched oligomannoside fragments of the mannan from Candida albicans cell wall corresponding to the antigenic factor 4

  摘要：

  3-Aminopropyl glycosides of 3,6-branched penta- and hexamannoside fragments of the cell wall mannan from Candida albicans, corresponding to the antigenic factor 4, have been synthesized. Subsequent coupling of both oligosaccharides with BSA using the squarate procedure provided corresponding neoglycoconjugates. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2009.11.012