Acetic acid (1S,2S,5R,6S)-6-acetoxy-5-hydroxy-4-hydroxymethyl-2-((1S,4R,5S,6S)-4,5,6-trihydroxy-3-hydroxymethyl-cyclohex-2-enylamino)-cyclohex-3-enyl ester | 1053698-36-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Acetic acid (1S,2S,5R,6S)-6-acetoxy-5-hydroxy-4-hydroxymethyl-2-((1S,4R,5S,6S)-4,5,6-trihydroxy-3-hydroxymethyl-cyclohex-2-enylamino)-cyclohex-3-enyl ester
• 英文别名: [(1S,2S,5R,6S)-6-acetyloxy-5-hydroxy-4-(hydroxymethyl)-2-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohex-3-en-1-yl] acetate
• CAS: 1053698-36-4
• 化学式: C₁₈H₂₇NO₁₀
• 分子量: 417.413
• InChiKey: DDEXJMFXAKYVON-NAVXHOJHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.9
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  186
• 氢给体数：
  7
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  Acetic acid (1S,2S,5R,6S)-6-acetoxy-5-hydroxy-4-hydroxymethyl-2-((1S,4R,5S,6S)-4,5,6-trihydroxy-3-hydroxymethyl-cyclohex-2-enylamino)-cyclohex-3-enyl ester 生成 bis-<(1S)-(1,4,6/5)-4,5,6-triacetoxy-3-(acetoxymethyl)cyclohex-2-enyl>amine
  参考文献：
  名称：

  Ogawa, Seiichiro; Sato, Koji; Miyamoto, Yasunobu, Journal of the Chemical Society. Perkin transactions I, 1993, # 6, p. 691 - 696

  摘要：

  DOI：
• 作为产物：
  描述：

  N-<(1R,3R,8S,9S,10S)-9,10-diacetoxy-3-phenyl-2,4-dioxabicyclo<4.4.0>dec-6-en-8-yl>-4',7':5',6'-di-O-isopropylidene-α-valienamine 在 溶剂黄146 作用下， 生成 Acetic acid (1S,2S,5R,6S)-6-acetoxy-5-hydroxy-4-hydroxymethyl-2-((1S,4R,5S,6S)-4,5,6-trihydroxy-3-hydroxymethyl-cyclohex-2-enylamino)-cyclohex-3-enyl ester
  参考文献：
  名称：

  Ogawa, Seiichiro; Sato, Koji; Miyamoto, Yasunobu, Journal of the Chemical Society. Perkin transactions I, 1993, # 6, p. 691 - 696

  摘要：

  DOI：