S-[(2R,3R,4S,6S)-6-[[(2R,3S,4S,5R,6R)-6-[(2'S,5'Z,9'R,13'E)-13'-(2-acetylsulfanylethylidene)-9'-hydroxy-12'-(methoxycarbonylamino)spiro[1,3-dioxolane-2,11'-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diyne]-2'-yl]oxy-5-[(2S,4S,5S)-5-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-2-methyloxan-3-yl]-(2-trimethylsilylethoxycarbonyl)amino]oxy-2-methyl-4-triethylsilyloxyoxan-3-yl] 5-iodo-2,3-dimethoxy-4-[(2S,3R,4R,5S,6S)-4-methoxy-6-methyl-3,5-bis(triethylsilyloxy)oxan-2-yl]oxy-6-methylbenzenecarbothioate | 158862-54-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: S-[(2R,3R,4S,6S)-6-[[(2R,3S,4S,5R,6R)-6-[(2'S,5'Z,9'R,13'E)-13'-(2-acetylsulfanylethylidene)-9'-hydroxy-12'-(methoxycarbonylamino)spiro[1,3-dioxolane-2,11'-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diyne]-2'-yl]oxy-5-[(2S,4S,5S)-5-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-2-methyloxan-3-yl]-(2-trimethylsilylethoxycarbonyl)amino]oxy-2-methyl-4-triethylsilyloxyoxan-3-yl] 5-iodo-2,3-dimethoxy-4-[(2S,3R,4R,5S,6S)-4-methoxy-6-methyl-3,5-bis(triethylsilyloxy)oxan-2-yl]oxy-6-methylbenzenecarbothioate
• CAS: 158862-54-5
• 化学式: C₉₇H₁₄₂IN₃O₂₇S₂Si₄
• 分子量: 2085.58
• InChiKey: SWVBZVUGZYHYKJ-KMBDYBHISA-N

物化性质

• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  16.93
• 重原子数：
  134
• 可旋转键数：
  45
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  380
• 氢给体数：
  3
• 氢受体数：
  29

反应信息

• 作为反应物：
  描述：

  S-[(2R,3R,4S,6S)-6-[[(2R,3S,4S,5R,6R)-6-[(2'S,5'Z,9'R,13'E)-13'-(2-acetylsulfanylethylidene)-9'-hydroxy-12'-(methoxycarbonylamino)spiro[1,3-dioxolane-2,11'-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diyne]-2'-yl]oxy-5-[(2S,4S,5S)-5-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-2-methyloxan-3-yl]-(2-trimethylsilylethoxycarbonyl)amino]oxy-2-methyl-4-triethylsilyloxyoxan-3-yl] 5-iodo-2,3-dimethoxy-4-[(2S,3R,4R,5S,6S)-4-methoxy-6-methyl-3,5-bis(triethylsilyloxy)oxan-2-yl]oxy-6-methylbenzenecarbothioate 在 二异丁基氢化铝 作用下， 以 二氯甲烷 为溶剂， 反应 0.42h， 生成
  参考文献：
  名称：

  Hitchcock, Stephen A.; Chu-Moyer, Margaret Y.; Boyer, Serge H., Journal of the American Chemical Society, 1995, vol. 117, # 21, p. 5750 - 5756

  摘要：

  DOI：
• 作为产物：
  描述：

  S-[(2E)-2-[(2'S,5'Z,9'R)-2',9'-dihydroxy-12'-(methoxycarbonylamino)spiro[1,3-dioxolane-2,11'-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diyne]-13'-ylidene]ethyl] ethanethioate 、 S-[(2R,3R,4S,6S)-6-[[(2R,3S,4S,5R)-5-[(2S,4S,5S)-5-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-2-methyl-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl]-(2-trimethylsilylethoxycarbonyl)amino]oxy-2-methyl-4-triethylsilyloxyoxan-3-yl] 5-iodo-2,3-dimethoxy-4-[(2S,3R,4R,5S,6S)-4-methoxy-6-methyl-3,5-bis(triethylsilyloxy)oxan-2-yl]oxy-6-methylbenzenecarbothioate 在 4 A molecular sieve 、 silver trifluoromethanesulfonate 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 生成 S-[(2R,3R,4S,6S)-6-[[(2R,3S,4S,5R,6R)-6-[(2'S,5'Z,9'R,13'E)-13'-(2-acetylsulfanylethylidene)-9'-hydroxy-12'-(methoxycarbonylamino)spiro[1,3-dioxolane-2,11'-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diyne]-2'-yl]oxy-5-[(2S,4S,5S)-5-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-2-methyloxan-3-yl]-(2-trimethylsilylethoxycarbonyl)amino]oxy-2-methyl-4-triethylsilyloxyoxan-3-yl] 5-iodo-2,3-dimethoxy-4-[(2S,3R,4R,5S,6S)-4-methoxy-6-methyl-3,5-bis(triethylsilyloxy)oxan-2-yl]oxy-6-methylbenzenecarbothioate 、
  参考文献：
  名称：

  Hitchcock, Stephen A.; Boyer, Serge H.; Chu-Moyer, Margaret Y., Angewandte Chemie, 1994, vol. 106, # 8, p. 928 - 931

  摘要：

  DOI：