(E)-4-(2-{1-[N-((2S,3R,4S,6S)-3,6-Dimethoxy-2,4-dimethyl-tetrahydro-pyran-4-yl)aminooxy]-4-methyl-hexyl}-4-methyl-phenyl)-but-3-enoic acid methyl ester | 218922-08-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (E)-4-(2-{1-[N-((2S,3R,4S,6S)-3,6-Dimethoxy-2,4-dimethyl-tetrahydro-pyran-4-yl)aminooxy]-4-methyl-hexyl}-4-methyl-phenyl)-but-3-enoic acid methyl ester
• CAS: 218922-08-8
• 化学式: C₂₈H₄₅NO₆
• 分子量: 491.668
• InChiKey: NERKVELUOMRJPE-MOFDHJHHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.51
• 重原子数：
  35.0
• 可旋转键数：
  13.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  75.25
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (E)-4-(2-{1-[N-((2S,3R,4S,6S)-3,6-Dimethoxy-2,4-dimethyl-tetrahydro-pyran-4-yl)aminooxy]-4-methyl-hexyl}-4-methyl-phenyl)-but-3-enoic acid methyl ester 在 aluminum nickel 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 23.0h， 生成 methyl 3-acetylamino-2,3,6-trideoxy-3-C-methyl-4-O-methyl-α-L-ribo-hexopyranoside
  参考文献：
  名称：

  Structure elucidation of Sch 49088, a novel everninomicin antibiotic containing an unusual hydroxylamino-ether sugar, everhydroxylaminose

  摘要：

  Degradation of Sch 49088 (1) provided a novel, highly functionalized O-substituted hydroxylamine-containing sugar, everhydroxylaminose 11 isolated as a beta-OMe glycoside. Notably the two acid sensitive orthoester moieties in the intact antibiotic 1 co-exist in the presence of three phenolic groups and a free carboxylic acid group. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01923-6
• 作为产物：
  描述：

  甲醇 、 在 对甲苯磺酸 作用下， 反应 18.0h， 生成 (E)-4-(2-{1-[N-((2S,3R,4S,6R)-3,6-Dimethoxy-2,4-dimethyl-tetrahydro-pyran-4-yl)aminooxy]-4-methyl-hexyl}-4-methyl-phenyl)-but-3-enoic acid methyl ester 、 (E)-4-(2-{1-[N-((2S,3R,4S,6S)-3,6-Dimethoxy-2,4-dimethyl-tetrahydro-pyran-4-yl)aminooxy]-4-methyl-hexyl}-4-methyl-phenyl)-but-3-enoic acid methyl ester
  参考文献：
  名称：

  Structure elucidation of Sch 49088, a novel everninomicin antibiotic containing an unusual hydroxylamino-ether sugar, everhydroxylaminose

  摘要：

  Degradation of Sch 49088 (1) provided a novel, highly functionalized O-substituted hydroxylamine-containing sugar, everhydroxylaminose 11 isolated as a beta-OMe glycoside. Notably the two acid sensitive orthoester moieties in the intact antibiotic 1 co-exist in the presence of three phenolic groups and a free carboxylic acid group. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01923-6