(7R,8S,9R,12S,15R,18R,19R,40S,41R,44S,46S,49S,50R,51S,77R)-20,39,52-triacetyl-8,15,50,77-tetrahydroxy-10,16,43,48-tetrakis(hydroxymethyl)-9,41,49-trimethoxy-18,19-dimethyl-21,38,53-tris(methylsulfanyl)-11,13,17,27,30,33,42,45,47,59,62,65,70,73,76,79,82,85-octadecaoxa-3-thia-6,20,23,36,39,52,55,68-octazaundecacyclo[55.11.8.825,34.140,44.02,6.07,12.022,26.046,51.054,58.066,69.037,78]pentaoctaconta-1(69),22(26),24,34,37(78),54(58),56,66-octaen-5-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (7R,8S,9R,12S,15R,18R,19R,40S,41R,44S,46S,49S,50R,51S,77R)-20,39,52-triacetyl-8,15,50,77-tetrahydroxy-10,16,43,48-tetrakis(hydroxymethyl)-9,41,49-trimethoxy-18,19-dimethyl-21,38,53-tris(methylsulfanyl)-11,13,17,27,30,33,42,45,47,59,62,65,70,73,76,79,82,85-octadecaoxa-3-thia-6,20,23,36,39,52,55,68-octazaundecacyclo[55.11.8.825,34.140,44.02,6.07,12.022,26.046,51.054,58.066,69.037,78]pentaoctaconta-1(69),22(26),24,34,37(78),54(58),56,66-octaen-5-one
• 化学式: C₇₆H₁₁₆N₈O₃₃S₄
• 分子量: 1798.0
• InChiKey: VFIMLTUZACYZBE-GSBJJSKOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.7
• 重原子数：
  121
• 可旋转键数：
  10
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  601
• 氢给体数：
  12
• 氢受体数：
  37

文献信息

• CHITOSAN DERIVATIVE, A METHOD FOR ITS PREPARATION AND ITS USE AS AN ADSORPTION AGENT
  申请人：Al-Sarra Ibrahim Abdallah

  公开号：US20140083947A1

  公开（公告）日：2014-03-27

  The present invention relates to a cross-linked thiazolidinone chitosan dibenzo crown ether, a method for its preparation as well as its use as adsorbent.