[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(2S,4aR,6S,7R,8S,8aS)-7-acetyloxy-6-[(2R,3S,4R,5R)-5-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate | 262426-27-7

• 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: [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(2S,4aR,6S,7R,8S,8aS)-7-acetyloxy-6-[(2R,3S,4R,5R)-5-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
• CAS: 262426-27-7
• 化学式: C₈₃H₉₀Cl₃N₃O₂₈
• 分子量: 1683.99
• InChiKey: FBPQGSBNQKTDEU-HDFXCARGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  117
• 可旋转键数：
  36
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  359
• 氢给体数：
  1
• 氢受体数：
  29

反应信息

• 作为反应物：
  描述：

  benzyl (2,4,6-tri-O-benzyl-β-D-galactopyranosyl)-(1->4)-2,3,6-tri-O-benzyl-β-D-glucopyranoside 、 [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(2S,4aR,6S,7R,8S,8aS)-7-acetyloxy-6-[(2R,3S,4R,5R)-5-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate 在 三氟甲磺酸三甲基硅酯 作用下， 以 乙腈 为溶剂， 反应 0.75h， 以70%的产率得到[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(2S,4aR,6S,7R,8S,8aS)-7-acetyloxy-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4S,5R,6S)-3,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-5-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
  参考文献：
  名称：

  Aly, Mohamed R. E.; Ibrahim, El-Sayed I.; El-Ashry, El-Sayed H. E., European Journal of Organic Chemistry, 2000, # 2, p. 319 - 326

  摘要：

  DOI：
• 作为产物：
  描述：

  三氯乙腈 、 [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(2S,4aR,6S,7R,8S,8aS)-7-acetyloxy-6-[(2R,3S,4R,5R)-5-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-6-hydroxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 二氯甲烷 为溶剂， 反应 9.0h， 以84%的产率得到[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(2S,4aR,6S,7R,8S,8aS)-7-acetyloxy-6-[(2R,3S,4R,5R)-5-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
  参考文献：
  名称：

  Aly, Mohamed R. E.; Ibrahim, El-Sayed I.; El-Ashry, El-Sayed H. E., European Journal of Organic Chemistry, 2000, # 2, p. 319 - 326

  摘要：

  DOI：