phenyl 2,6-di-O-benzoyl-4-O-{2-[(tert-butoxycarbonyl)(1-ethylpropyl)amino]acetyl}-3-O-{2-[(1-ethylpropyl)(9H-fluoren-9-ylmethoxycarbonyl)amino]acetyl}-1-thio-β-D-galactopyranoside | 1054604-97-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: phenyl 2,6-di-O-benzoyl-4-O-{2-[(tert-butoxycarbonyl)(1-ethylpropyl)amino]acetyl}-3-O-{2-[(1-ethylpropyl)(9H-fluoren-9-ylmethoxycarbonyl)amino]acetyl}-1-thio-β-D-galactopyranoside
• CAS: 1054604-97-5
• 化学式: C₆₀H₆₈N₂O₁₃S
• 分子量: 1057.27
• InChiKey: AOVLRWBZVSGJKA-XNEBDYGPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.28
• 重原子数：
  76.0
• 可旋转键数：
  21.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  173.51
• 氢给体数：
  0.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  phenyl 2,6-di-O-benzoyl-4-O-{2-[(tert-butoxycarbonyl)(1-ethylpropyl)amino]acetyl}-3-O-{2-[(1-ethylpropyl)(9H-fluoren-9-ylmethoxycarbonyl)amino]acetyl}-1-thio-β-D-galactopyranoside 、 在 N-碘代丁二酰亚胺 、 三氟甲磺酸 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  UCHP Method for Oligosaccharide Combinatorial Library Synthesis

  摘要：

  A new methodology for oligosaccharide combinatorial library synthesis using a special hydroxy protecting group, the uni-chemo hydroxy protection (UCHP) group, was developed. The UCHP group was composed of oligomeric amino acid derivatives. The amino terminals of UCHP groups were protected by either Boc or Fmoc groups. By using these two types of UCHP, five kinds of trigalactoses [Gal beta 1-3Gal beta 1-3Gal, Gal beta 1-3(Gal beta 1-4) Gal, Gal beta 1-4Gal beta 1-3Gal, Gal beta 1-3Gal beta 1-4Gal, and Gal beta 1-4Gal beta 1-4Gal] were successfully synthesized on a solid support as a model of oligosaccharide combinatorial library. Each step of all reactions was also successfully monitored using a combination of two colorimetric tests, chloranil and methyl red-DIC.

  DOI：

  10.1080/07328300903100661
• 作为产物：
  描述：

  2-[(tert-butoxycarbonyl)(1-ethylpropyl)amino]acetic acid 、 phenyl 2,6-di-O-benzoyl-3-O-{2-[(1-ethylpropyl)(9H-fluoren-9-ylmethoxycarbonyl)amino]acetyl}-1-thio-β-D-galactopyranoside 在 4-二甲氨基吡啶 、 N,N'-二异丙基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以99%的产率得到phenyl 2,6-di-O-benzoyl-4-O-{2-[(tert-butoxycarbonyl)(1-ethylpropyl)amino]acetyl}-3-O-{2-[(1-ethylpropyl)(9H-fluoren-9-ylmethoxycarbonyl)amino]acetyl}-1-thio-β-D-galactopyranoside
  参考文献：
  名称：

  UCHP Method for Oligosaccharide Combinatorial Library Synthesis

  摘要：

  A new methodology for oligosaccharide combinatorial library synthesis using a special hydroxy protecting group, the uni-chemo hydroxy protection (UCHP) group, was developed. The UCHP group was composed of oligomeric amino acid derivatives. The amino terminals of UCHP groups were protected by either Boc or Fmoc groups. By using these two types of UCHP, five kinds of trigalactoses [Gal beta 1-3Gal beta 1-3Gal, Gal beta 1-3(Gal beta 1-4) Gal, Gal beta 1-4Gal beta 1-3Gal, Gal beta 1-3Gal beta 1-4Gal, and Gal beta 1-4Gal beta 1-4Gal] were successfully synthesized on a solid support as a model of oligosaccharide combinatorial library. Each step of all reactions was also successfully monitored using a combination of two colorimetric tests, chloranil and methyl red-DIC.

  DOI：

  10.1080/07328300903100661