methyl (phenyl 5-amino-5-N,4-O-carbonyl-3,5-dideoxy-9-O-(methyl 5-amino-5-N,4-O-carbonyl-3,5-dideoxy-9-O-(methyl 5-amino-7,8-di-O-acetyl-5-N,4-O-carbonyl-3,5-dideoxy-9-O-(methyl 5-amino-5-N,4-O-carbonyl-7,8,9-tri-O-acetyl-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranosylonate)-D-glycero-α-D-galacto-2-nonulopyranosylonate)-D-glycero-α-D-galacto-2-nonulopyranosylonate)-D-glycero-α-D-galacto-2-nonulopyranoside)onate | 1219718-06-5

• 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: methyl (phenyl 5-amino-5-N,4-O-carbonyl-3,5-dideoxy-9-O-(methyl 5-amino-5-N,4-O-carbonyl-3,5-dideoxy-9-O-(methyl 5-amino-7,8-di-O-acetyl-5-N,4-O-carbonyl-3,5-dideoxy-9-O-(methyl 5-amino-5-N,4-O-carbonyl-7,8,9-tri-O-acetyl-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranosylonate)-D-glycero-α-D-galacto-2-nonulopyranosylonate)-D-glycero-α-D-galacto-2-nonulopyranosylonate)-D-glycero-α-D-galacto-2-nonulopyranoside)onate
• CAS: 1219718-06-5
• 化学式: C₆₀H₇₆N₄O₃₇S
• 分子量: 1477.33
• InChiKey: QOQYCWZJAQPFDU-QVLMXDBYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.9
• 重原子数：
  102.0
• 可旋转键数：
  29.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  535.55
• 氢给体数：
  8.0
• 氢受体数：
  38.0

反应信息

• 作为产物：
  描述：

  methyl (phenyl 5-amino-5-N,4-O-carbonyl-3,5-dideoxy-9-O-(5-amino-5-N,4-O-carbonyl-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosylonate)-2-thio-D-glycero-α-D-galacto-2-nonulopyranoside)onate 、 在 三氟甲磺酸三甲基硅酯 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 以70%的产率得到methyl (phenyl 5-amino-5-N,4-O-carbonyl-3,5-dideoxy-9-O-(methyl 5-amino-5-N,4-O-carbonyl-3,5-dideoxy-9-O-(methyl 5-amino-7,8-di-O-acetyl-5-N,4-O-carbonyl-3,5-dideoxy-9-O-(methyl 5-amino-5-N,4-O-carbonyl-7,8,9-tri-O-acetyl-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranosylonate)-D-glycero-α-D-galacto-2-nonulopyranosylonate)-D-glycero-α-D-galacto-2-nonulopyranosylonate)-D-glycero-α-D-galacto-2-nonulopyranoside)onate
  参考文献：
  名称：

  高效高效制备天然唾液酸苷的高选择性α-唾液酸磷酸酯供体

  摘要：

  哈勃，气泡，辛劳和麻烦：使用新的唾液酸磷酸酯供体可以立体选择性地单锅多组分合成α-唾液寡糖（参见方案）。

  DOI：

  10.1002/chem.200903035