5-chloro-3-oxa-pentyl-2-acetamido-2-deoxy-3-O-(β-D-galactopyranosyl)-α-D-galactopyranoside | 195531-57-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-chloro-3-oxa-pentyl-2-acetamido-2-deoxy-3-O-(β-D-galactopyranosyl)-α-D-galactopyranoside
• CAS: 195531-57-8
• 化学式: C₁₈H₃₂ClNO₁₂
• 分子量: 489.905
• InChiKey: HDOCXEJFOQHIDS-ZMHUMUBJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.97
• 重原子数：
  32.0
• 可旋转键数：
  11.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  196.63
• 氢给体数：
  7.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 5-chloro-3-oxa-pentyl-2-acetamido-2-deoxy-3-O-(β-D-galactopyranosyl)-α-D-galactopyranoside 在 吡啶 作用下， 生成 5-chloro-3-oxa-pentyl-2-acetamido-4,6-di-O-acetyl-2-deoxy-3-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-α-D-galactopyranoside
  参考文献：
  名称：

  Galactosylation with β-galactosidase from bovine testes employing modified acceptor substrates

  摘要：

  In this study beta 1-3 linked analogues of the T-antigen determinant were sythesized in preparative scale by transgalactosylation using beta-galactosidase from bovine testes to give synthetic antigens. Accepters with modifications of the sugar residue such as alpha-glycosylated spacers, as well as GlcNAc-alpha OR- and 2dGal-alpha OR-substrates opened further possibilities for galactosylation. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(97)00071-0
• 作为产物：
  描述：

  3,4,6-tri-O-acetyl-2-azido-2-deoxy-β-D-galactopyranosyl trichloroacetimidate 在 palladium on activated charcoal 吡啶 、 甲醇 、 二环己烷并-18-冠醚-6 、 三氟甲磺酸三甲基硅酯 、 β-galactosidase from bovine testes 、 sodium phosphate-citrate buffer 、 氢气 、 sodium methylate 、 溶剂黄146 、 sodium chloride 作用下， 以 乙醚 、 丁酮 为溶剂， 反应 58.5h， 生成 5-chloro-3-oxa-pentyl-2-acetamido-2-deoxy-3-O-(β-D-galactopyranosyl)-α-D-galactopyranoside
  参考文献：
  名称：

  Galactosylation with β-galactosidase from bovine testes employing modified acceptor substrates

  摘要：

  In this study beta 1-3 linked analogues of the T-antigen determinant were sythesized in preparative scale by transgalactosylation using beta-galactosidase from bovine testes to give synthetic antigens. Accepters with modifications of the sugar residue such as alpha-glycosylated spacers, as well as GlcNAc-alpha OR- and 2dGal-alpha OR-substrates opened further possibilities for galactosylation. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(97)00071-0