Heptanoic acid (2R,3R,4R,5S)-5-[(R)-carbamoyl-((2S,3S,4S)-3,4-dihydroxy-6-phenylcarbamoyl-3,4-dihydro-2H-pyran-2-yloxy)-methyl]-2-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-methoxy-tetrahydro-furan-3-yl ester

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Heptanoic acid (2R,3R,4R,5S)-5-[(R)-carbamoyl-((2S,3S,4S)-3,4-dihydroxy-6-phenylcarbamoyl-3,4-dihydro-2H-pyran-2-yloxy)-methyl]-2-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-methoxy-tetrahydro-furan-3-yl ester
• 英文别名: Heptanoic acid, 5-[carbamoyl-(3,4-dihydroxy-6-phenylcarbamoyl-3,4-dihydro-2H-pyran-2-yloxy)-methyl]-2-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-methoxy-tetrahydro-furan-3-yl ester；[(2R,3R,4R,5S)-5-[(1R)-2-amino-1-[[(2S,3S,4S)-3,4-dihydroxy-6-(phenylcarbamoyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-oxoethyl]-2-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl] heptanoate
• 化学式: C₃₀H₃₈N₄O₁₂
• 分子量: 646.651
• InChiKey: NHABIOJFBIDEEY-SGUYKZJCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  46
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  225
• 氢给体数：
  5
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  Heptanoic acid (2R,3R,4R,5S)-5-[(R)-carbamoyl-((3aS,4S,7aS)-2,2-dimethyl-6-phenylcarbamoyl-3a,7a-dihydro-4H-[1,3]dioxolo[4,5-c]pyran-4-yloxy)-methyl]-2-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-methoxy-tetrahydro-furan-3-yl ester 在 Amberlyst 15 (H⁺) 作用下， 以 甲醇 为溶剂， 生成 Heptanoic acid (2R,3R,4R,5S)-5-[(R)-carbamoyl-((2S,3S,4S)-3,4-dihydroxy-6-phenylcarbamoyl-3,4-dihydro-2H-pyran-2-yloxy)-methyl]-2-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-methoxy-tetrahydro-furan-3-yl ester
  参考文献：
  名称：

  Synthesis and antimycobacterial activity of capuramycin analogues. Part 2: acylated derivatives of capuramycin-related compounds

  摘要：

  Acylated derivatives of capuramycin and A-500359A were synthesized and tested for antimycobacterial activity. Compound 20 having a decanoyl group showed very potent activity. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00597-3

文献信息

• US7157442B2
  申请人：——

  公开号：US7157442B2

  公开（公告）日：2007-01-02
• Synthesis and antimycobacterial activity of capuramycin analogues. Part 2: acylated derivatives of capuramycin-related compounds
  作者：Hitoshi Hotoda、Makiko Daigo、Miyuki Furukawa、Kazuhiro Murayama、Chikako Akiyama Hasegawa、Masakatsu Kaneko、Yasunori Muramatsu、Michiko Miyazawa Ishii、Shun-ichi Miyakoshi、Toshio Takatsu、Masatoshi Inukai、Masayo Kakuta、Tomomi Abe、Takashi Fukuoka、Yukio Utsui、Satoshi Ohya

  DOI：10.1016/s0960-894x(03)00597-3

  日期：2003.9

  Acylated derivatives of capuramycin and A-500359A were synthesized and tested for antimycobacterial activity. Compound 20 having a decanoyl group showed very potent activity. (C) 2003 Elsevier Ltd. All rights reserved.