benzyl-2-acetamido-4,6-di-O-acetyl-2-deoxy-3-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-α-D-glucopyranoside | 50692-68-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: benzyl-2-acetamido-4,6-di-O-acetyl-2-deoxy-3-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-α-D-glucopyranoside
• 英文别名: Benzyl-2-acetamido-4,6-di-O-acetyl-2-deoxy-3-O-<2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl>-α-D-glucopyranosid；2-Acetamido-2-deoxy-3-O-β-D-galactopyranosyl-α-D-glucopyranosid-hexaacetat
• CAS: 50692-68-7
• 化学式: C₃₃H₄₃NO₁₇
• 分子量: 725.701
• InChiKey: JRXJPDIFFVHMRH-FARNPDSZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  51.0
• 可旋转键数：
  14.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  223.82
• 氢给体数：
  1.0
• 氢受体数：
  17.0

反应信息

• 作为产物：
  描述：

  苄基 2-乙酰氨基-2-脱氧-3-O-(beta-D-吡喃半乳糖基)-alpha-D-吡喃葡萄糖苷 、 乙酸酐 在 吡啶 作用下， 反应 12.0h， 生成 benzyl-2-acetamido-4,6-di-O-acetyl-2-deoxy-3-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-α-D-glucopyranoside
  参考文献：
  名称：

  Farkas, Erzsébct; Thiem, Joachim; Krzewinski, Frédéric, Synlett, 2000, # 5, p. 728 - 730

  摘要：

  DOI：

文献信息

• Galactosylation with β-galactosidase from bovine testes employing modified acceptor substrates
  作者：Ulrike Gambert、Raul Gonzalez Lio、Erzsébet Farkas、Joachim Thiem、Vicente Verez Bencomo、András Lipták

  DOI：10.1016/s0968-0896(97)00071-0

  日期：1997.7

  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.