methyl (2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5R,6S)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-(6-azidohexoxy)-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-(fluoromethyl)-3,5-dihydroxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate | 169392-95-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl (2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5R,6S)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-(6-azidohexoxy)-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-(fluoromethyl)-3,5-dihydroxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
• CAS: 169392-95-4
• 化学式: C₆₆H₈₈FN₅O₂₂
• 分子量: 1322.44
• InChiKey: WWYSMMKUNQKDNH-XITZJSJUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  94
• 可旋转键数：
  35
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  331
• 氢给体数：
  8
• 氢受体数：
  25

反应信息

• 作为反应物：
  描述：

  methyl (2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5R,6S)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-(6-azidohexoxy)-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-(fluoromethyl)-3,5-dihydroxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate 在 钯 sodium hydroxide 、 氢气 作用下， 以 甲醇 、 甲酸 、 水 为溶剂， 生成 (2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5R,6S)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-(6-aminohexoxy)-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-(fluoromethyl)-3,5-dihydroxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
  参考文献：
  名称：

  Stahl, Wilhelm; Sprengard, Ulrich; Kretzschmar, Gerhard, Angewandte Chemie, 1994, vol. 106, # 20, p. 2186 - 2188

  摘要：

  DOI：
• 作为产物：
  描述：

  二甲基(6R)-5-乙酰氨基-4-O-乙酰基-3,5-二脱氧-2-硫代-6-[(1S,2R)-1,2,3-三乙酰氧基丙基]-L-苏式-己-2-酮吡喃糖苷酸酯 、 N-[(2R,3R,4R,5S,6R)-2-(6-azidohexoxy)-5-[(2R,3R,4S,5R,6S)-6-(fluoromethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide 在 甲基硫基溴化物 、 3 A molecular sieve 、 sodium methylate 、 silver trifluoromethanesulfonate 作用下， 生成 、 N-[(2S,2'R,3'R,4'S,4aR,5S,7R,8R,8aR)-7-[(2R,3S,4R,5R,6R)-5-acetamido-6-(6-azidohexoxy)-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-(fluoromethyl)-4',8-dihydroxy-3-oxo-2'-[(1R,2R)-1,2,3-trihydroxypropyl]spiro[5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine-2,6'-oxane]-3'-yl]acetamide 、 methyl (2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5R,6S)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-(6-azidohexoxy)-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-(fluoromethyl)-3,5-dihydroxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
  参考文献：
  名称：

  Stahl, Wilhelm; Sprengard, Ulrich; Kretzschmar, Gerhard, Angewandte Chemie, 1994, vol. 106, # 20, p. 2186 - 2188

  摘要：

  DOI：

文献信息

• Stahl, Wilhelm; Sprengard, Ulrich; Kretzschmar, Gerhard, Angewandte Chemie, 1994, vol. 106, # 20, p. 2186 - 2188
  作者：Stahl, Wilhelm、Sprengard, Ulrich、Kretzschmar, Gerhard、Kunz, Horst

  DOI：——

  日期：——