N-[(5S)-6-[(5S)-6-[2-[[4-[bis[2-[4-[bis(2-tetradecanoyloxyethyl)amino]-4-oxobutanoyl]oxyethyl]amino]-1-hydroxy-4-oxobutylidene]amino]ethylimino]-6-hydroxy-5-[[(2S)-1-hydroxy-2,6-bis[[hydroxy-(3,4,5-trihydroxyphenyl)methylidene]amino]hexylidene]amino]hexyl]imino-6-hydroxy-5-[[hydroxy-(3,4,5-trihydroxyphenyl)methylidene]amino]hexyl]-3,4,5-trihydroxybenzenecarboximidic acid | 1446912-40-8

• 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: N-[(5S)-6-[(5S)-6-[2-[[4-[bis[2-[4-[bis(2-tetradecanoyloxyethyl)amino]-4-oxobutanoyl]oxyethyl]amino]-1-hydroxy-4-oxobutylidene]amino]ethylimino]-6-hydroxy-5-[[(2S)-1-hydroxy-2,6-bis[[hydroxy-(3,4,5-trihydroxyphenyl)methylidene]amino]hexylidene]amino]hexyl]imino-6-hydroxy-5-[[hydroxy-(3,4,5-trihydroxyphenyl)methylidene]amino]hexyl]-3,4,5-trihydroxybenzenecarboximidic acid
• CAS: 1446912-40-8
• 化学式: C₁₂₈H₂₀₃N₁₁O₃₅
• 分子量: 2456.07
• InChiKey: FPYLFULOTXQAIC-KZTXFXHPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.3
• 重原子数：
  174
• 可旋转键数：
  109
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  722
• 氢给体数：
  20
• 氢受体数：
  43

反应信息

• 作为产物：
  描述：

  在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 24.0h， 以90%的产率得到N-[(5S)-6-[(5S)-6-[2-[[4-[bis[2-[4-[bis(2-tetradecanoyloxyethyl)amino]-4-oxobutanoyl]oxyethyl]amino]-1-hydroxy-4-oxobutylidene]amino]ethylimino]-6-hydroxy-5-[[(2S)-1-hydroxy-2,6-bis[[hydroxy-(3,4,5-trihydroxyphenyl)methylidene]amino]hexylidene]amino]hexyl]imino-6-hydroxy-5-[[hydroxy-(3,4,5-trihydroxyphenyl)methylidene]amino]hexyl]-3,4,5-trihydroxybenzenecarboximidic acid
  参考文献：
  名称：

  Design and Synthesis of Novel Janus Dendrimers as Lipophilized Antioxidants

  摘要：

  In the search for better antioxidants with more satisfactory lipophilicity, a series of Janus dendrimers that consisted of gallic acid and alkyl chains as the peripheral groups, were designed and synthesized. These dendrimers take advantage of a dendritic display to carry multi-antioxidants and multi-lipophilic moieties simultaneously. Consequently, the resulting dendrimers, which showed satisfactory lipophilicity and better antioxidant activity than the gallic acid monomer, are potential novel lipophilized antioxidant agents.

  DOI：

  10.1055/s-0032-1318457