4-hydroxy-5-methyl-2-[(3E)-4-(2-methylcyclohexen-1-yl)buta-1,3-dien-2-yl]oxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-hydroxy-5-methyl-2-[(3E)-4-(2-methylcyclohexen-1-yl)buta-1,3-dien-2-yl]oxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
• 化学式: C₂₁H₃₂O₈
• 分子量: 412.5
• InChiKey: CEYNJKSGMJPLEK-CMDGGOBGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  137
• 氢给体数：
  5
• 氢受体数：
  8

文献信息

• INFECTION DETECTION METHODS AND SYSTEMS AND RELATED COMPOUNDS AND COMPOSITIONS
  申请人：Schmidt Jurgen G.

  公开号：US20140087369A1

  公开（公告）日：2014-03-27

  A compound, or a pharmaceutically acceptable salt, ester, hydrate or solvate thereof, comprising formula I: A-B wherein A comprises a carbohydrate that is a neuraminidase or galactosidase substrate; B comprises an odorant moiety; B is covalently bonded to an anomeric carbon of A; and A is enzymatically cleavable from B at the covalent bond site between A and B. Also disclosed are methods for detecting a pathogen with neuraminidase activity or galactosidase activity that include contacting the compound with a sample that may include the pathogen.