(1S,4R,7S,10R,13S,16R,19S,22R,25S,28R,31S,34R,37S,40R,43S,46R,49S,52R,55S,58R,62S,63R,65R,67R,69R,71R,74S,76S,78S,80S)-6,12,18,24,30,36,42,48,54,60-decakis(hydroxymethyl)-2,3,5,8,9,11,14,15,17,20,21,23,26,27,29,32,33,35,38,39,41,44,45,47,50,51,53,56,57,59-triacontaoxaundecacyclo[56.2.2.24,7.210,13.216,19.222,25.228,31.234,37.240,43.246,49.252,55]octacontane-61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80-icosol

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,4R,7S,10R,13S,16R,19S,22R,25S,28R,31S,34R,37S,40R,43S,46R,49S,52R,55S,58R,62S,63R,65R,67R,69R,71R,74S,76S,78S,80S)-6,12,18,24,30,36,42,48,54,60-decakis(hydroxymethyl)-2,3,5,8,9,11,14,15,17,20,21,23,26,27,29,32,33,35,38,39,41,44,45,47,50,51,53,56,57,59-triacontaoxaundecacyclo[56.2.2.24,7.210,13.216,19.222,25.228,31.234,37.240,43.246,49.252,55]octacontane-61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80-icosol
• 化学式: C₆₀H₁₀₀O₆₀
• 分子量: 1781.4
• InChiKey: YRMAQFSSFNALJU-NEEZIEAISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -21
• 重原子数：
  120
• 可旋转键数：
  10
• 环数：
  38.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  884
• 氢给体数：
  30
• 氢受体数：
  60

文献信息

• SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS
  申请人：Cercacor Laboratories, Inc

  公开号：US20140127137A1

  公开（公告）日：2014-05-08

  Small Molecule Metabolite Reporters (SMMRs) for use as in vivo glucose biosensors, sensor compositions, and methods of use, are described. The SMMRs include boronic acid-containing xanthene, coumarin, carbostyril and phenalene-based small molecules which are used for monitoring glucose in vivo, advantageously on the skin.