3-aminopropyl 2-acetamido-2-deoxy-α-D-galactopyranosyl-(1->3)-[α-L-fucopyranosyl-(1->2)]-β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-glucopyranoside | 1015759-65-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-aminopropyl 2-acetamido-2-deoxy-α-D-galactopyranosyl-(1->3)-[α-L-fucopyranosyl-(1->2)]-β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-glucopyranoside
• 英文别名: N-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2-(3-aminopropoxy)-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• CAS: 1015759-65-5
• 化学式: C₃₁H₅₅N₃O₂₀
• 分子量: 789.786
• InChiKey: DLSDLRSPVQURCT-DMJCAVFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.9
• 重原子数：
  54
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  360
• 氢给体数：
  13
• 氢受体数：
  21

反应信息

• 作为产物：
  描述：

  C₅₆H₇₄F₃N₃O₂₉ 在 吡啶 、 甲醇 、 sodium methylate 、 溶剂黄146 作用下， 反应 11.0h， 生成 3-aminopropyl 2-acetamido-2-deoxy-α-D-galactopyranosyl-(1->3)-[α-L-fucopyranosyl-(1->2)]-β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-glucopyranoside
  参考文献：
  名称：

  Block synthesis of A tetrasaccharides (types 1, 3, and 4) related to the human ABO blood group system

  摘要：

  Blood group A tetrasaccharides of different types have the same terminal trisaccharide fragment that allows using a block scheme in their synthesis. 3-Aminopropyl glycosides of tetrasaccharides GalNAc alpha 1-3(Fuc alpha 1-2)Gal beta 1-3GlcNAc beta (A type 1), GalNAc alpha 1-3(Fuc alpha 1-2)Gal beta 1-3GalNAc alpha (A type 3), and GalNAc alpha 1-3(Fuc alpha 1-2)Gal beta 1-3GalNAc beta (A type 4) were synthesised using acetylated Gal alpha 1-3(Fuc alpha 1-2)Gal trichloroacetimidate as a glycosyl donor at the key stage. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2011.12.013