N7,N16-bis((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide L-argininate | 1182838-52-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N7,N16-bis((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide L-argininate
• CAS: 1182838-52-3
• 化学式: C₆H₁₄N₄O₂*C₃₈H₆₈N₄O₂₆
• 分子量: 1171.17
• InChiKey: JVXNNXGYCNYRKE-HQYSHQGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -12.0
• 重原子数：
  80.0
• 可旋转键数：
  15.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  565.42
• 氢给体数：
  21.0
• 氢受体数：
  29.0

反应信息

• 作为产物：
  描述：

  L-精氨酸 、 1,10-N,N’-bis-(β-D-ureidocellobiosyl)-4,7,13,16-tetraoxa-1,10-diazacyclooctadecane 以 水 为溶剂， 反应 18.0h， 生成 N7,N16-bis((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide L-argininate
  参考文献：
  名称：

  Bis-β-cyclodextrinyl- and bis-cellobiosyl-diazacrowns: synthesis and molecular complexation behaviors toward Busulfan anticancer agent and two basic aminoacids

  摘要：

  The one-step synthesis of two C-2-symmetric receptors including two beta-cyclodextrin cores or two disaccharidyl units connected by urea linkers to a diazacrown ether organizing platform is reported. The X-ray structure of the peracetylated bis-ureidocellobiosyl podand could be determined. These molecular systems, long thought to be potent selective carriers for chiral/achiral organic guests at the supramolecular level, were found to be efficient complexing tools toward the Busulfan anticancer agent but also toward L-arginine and L-lysine basic aminoacids. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.05.057