5-Amino-6-(2,3-dihydroxypropyl)-4-hydroxy-2-[[1-methyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methoxy]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: 5-Amino-6-(2,3-dihydroxypropyl)-4-hydroxy-2-[[1-methyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methoxy]oxane-2-carboxylic acid
• 英文别名: 5-amino-6-(2,3-dihydroxypropyl)-4-hydroxy-2-[[1-methyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methoxy]oxane-2-carboxylic acid
• 化学式: C₂₄H₄₁NO₇
• 分子量: 455.6
• InChiKey: DJJGVMMATYZKSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  143
• 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.