2,2,2-trichloroethyl N-[(2R,4S,5S)-2-[[(3S,4S,6R)-6-[[(3S,4S,6R)-3,4-dimethyl-6-prop-2-enoxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methoxy]-3,4-dimethyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methoxy]-6-(hydroxymethyl)-4,5-dimethyloxan-3-yl]carbamate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 2,2,2-trichloroethyl N-[(2R,4S,5S)-2-[[(3S,4S,6R)-6-[[(3S,4S,6R)-3,4-dimethyl-6-prop-2-enoxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methoxy]-3,4-dimethyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methoxy]-6-(hydroxymethyl)-4,5-dimethyloxan-3-yl]carbamate
• 化学式: C₃₆H₅₄Cl₉N₃O₁₃
• 分子量: 1055.9
• InChiKey: DEXDXYRAMDDMQZ-NXABSGLFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  61
• 可旋转键数：
  19
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  191
• 氢给体数：
  4
• 氢受体数：
  13

文献信息

• Synthetic Oligosaccharides for Staphylococcus Vaccine
  申请人：CAMPBELL A. Stewart

  公开号：US20140170151A1

  公开（公告）日：2014-06-19

  The present invention synthetic oligo-β-(1→6)-glucosamine structures and a methodology which essentially allows for the synthesis of any oligo-β-(1→6)-glucosamine species having a definite number of monosaccharide units, including a set pattern of acetylated and non-acetylated residues. The invention further provides antibodies to these synthetic oligo-β-(1→6)-glucosamines as well as compositions thereof and methods for treating and preventing infections caused by bacteria expressing poly-β-(1→6)-glucosamines, such as Staphylococcus aureus.