[(2R,3S,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxohexyl] 5-(dimethylamino)naphthalene-1-sulfonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: [(2R,3S,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxohexyl] 5-(dimethylamino)naphthalene-1-sulfonate
• 化学式: C₂₀H₂₆N₂O₈S
• 分子量: 454.5
• InChiKey: XDDBHWOKWCEVDB-JQERWDHBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  162
• 氢给体数：
  4
• 氢受体数：
  9

文献信息

• Identification and Quantification of Intact Glycopeptides in Complex Samples
  申请人：INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION

  公开号：US20150160233A1

  公开（公告）日：2015-06-11

  Illustrative embodiments of methods and apparatus for identifying one or more intact glycopeptides in a sample are disclosed. According to one illustrative embodiment, a method may comprise receiving data representing a plurality of mass spectra obtained from mass spectrometry of the sample, scoring data representing each of the plurality of mass spectra against data associated with target glycopeptides, and identifying one or more intact glycopeptides in the sample based at least in part on the scoring of the data representing each of the plurality of mass spectra.
• US9459258B2
  申请人：——

  公开号：US9459258B2

  公开（公告）日：2016-10-04