1-[3-[4-(Dithiolan-3-yl)butoxymethylamino]anilino]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-2,3,4,5-tetrol

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 1-[3-[4-(Dithiolan-3-yl)butoxymethylamino]anilino]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-2,3,4,5-tetrol
• 英文别名: 1-[3-[4-(dithiolan-3-yl)butoxymethylamino]anilino]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-2,3,4,5-tetrol
• 化学式: C₂₆H₄₄N₂O₁₁S₂
• 分子量: 624.8
• InChiKey: UNQZOTRDROFYER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  41
• 可旋转键数：
  18
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  264
• 氢给体数：
  10
• 氢受体数：
  15

文献信息

• CARBOHYDRATE-LIGAND CONJUGATES AND THEIR APPLICATION FOR THE ANALYSIS OF CARBOHYDRATE-PROTEIN INTERACTION
  申请人：Japan Science and Technology Agency

  公开号：US20140295566A1

  公开（公告）日：2014-10-02

  A novel ligand conjugate which is effectively utilizable for analyzing a function of a protein; a ligand-supporting object; and a method of analyzing a protein. The ligand conjugate has a structure which comprises: a linker compound having a structure represented by the following General Formula (1): (wherein n and p each is an integer of 0 to 6) in which X is a structure comprising one, two, or three hydrocarbon derivative chains which have an aromatic amino group at the end and may have a carbon-nitrogen bond in the main chain, Y is a hydro-carbon structure containing one or more sulfur atoms, and Z is a straight-chain structure comprising a carbon-carbon bond or carbon-oxygen bond; and a sugar which has a reducing end and is bonded to the linker compound through the aromatic amino group.
• US8765384B2
  申请人：——

  公开号：US8765384B2

  公开（公告）日：2014-07-01