(4-nitrophenyl) 6-[2-[8-[(2S,4R,5S)-3-acetamido-4-[(2R,4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctylsulfanyl]ethylamino]-6-oxohexanoate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4-nitrophenyl) 6-[2-[8-[(2S,4R,5S)-3-acetamido-4-[(2R,4S,5S)-4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctylsulfanyl]ethylamino]-6-oxohexanoate
• 化学式: C49H79N3O24S
• 分子量: 1126.2
• InChiKey: ZRSRNBFVKDBKJX-SGHBBFCVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  77
• 可旋转键数：
  30
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  432
• 氢给体数：
  12
• 氢受体数：
  25

文献信息

• METHOD AND SYSTEM FOR ABO ANTIBODY DETECTION AND CHARACTERIZATION
  申请人：Lowary Todd Lambert

  公开号：US20140249051A1

  公开（公告）日：2014-09-04

  The present application discloses a system and method for ABO antibody detection and characterization that can provide an alternative means for assessment and management of ABO-incompatible and ABO-compatible transplants. The method and system comprises determining an anti-ABO blood group antigen subtype antibody profile of a subject using a biological sample from the subject. The method and system can be used to evaluate the suitability of a donor blood or tissue product for a recipient subject by comparing the determined anti-ABO antigen subtype antibody profile of the recipient subject with the ABO histo-blood group or ABO histo-blood subgroup of a donor blood or tissue product. In order to define the subject's ABO histo-blood subgroup, the determined antibody profile is compared to known ABO histo-blood group antigen subtype profiles and/or known anti-ABO antigen subtype antibody profiles for ABO histo-blood subgroups to identify the ABO histo-blood subgroup of the subject. Profiles can be established by applying a sample to an array of surface-bound ABO antigens selected from the group of type I to type VI antigens of each blood group A, B or H.