(12S,3E,5S,13E,15Z)-7t-acetoxy-15,6,9c,11t-tetrahydroxy-5r-methoxy-12,4,6t,8c,10c,12t,16-heptamethyl-2-oxa-18-aza-1(2,7)-furo[2',3':5,6]benzo[1,2-f]pyrido[3,2-b]quinoxalina-cyclooctadecaphane-3,13,15-triene-11,17-dione | 7587-02-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: (12S,3E,5S,13E,15Z)-7t-acetoxy-15,6,9c,11t-tetrahydroxy-5r-methoxy-12,4,6t,8c,10c,12t,16-heptamethyl-2-oxa-18-aza-1(2,7)-furo[2',3':5,6]benzo[1,2-f]pyrido[3,2-b]quinoxalina-cyclooctadecaphane-3,13,15-triene-11,17-dione
• 英文别名: (1²S,3E,5S,13E,15Z)-7t-acetoxy-1^5,6,9c,11t-tetrahydroxy-5r-methoxy-1^2,4,6t,8c,10c,12t,16-heptamethyl-2-oxa-18-aza-1(2,7)-furo[2',3':5,6]benzo[1,2-f]pyrido[3,2-b]quinoxalina-cyclooctadecaphane-3,13,15-triene-1¹,17-dione；pyrido[2'',3'':5',6']pyrazino[2',3':3,4]-4-deoxy-rifamycin；rifamycin-X
• CAS: 7587-02-2
• 化学式: C₄₂H₄₈N₄O₁₁
• 分子量: 784.863
• InChiKey: RROMVTVMEHMEHU-VZMXZRBBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.08
• 重原子数：
  57.0
• 可旋转键数：
  2.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  219.49
• 氢给体数：
  5.0
• 氢受体数：
  13.0

反应信息

• 作为产物：
  描述：

  2,3-二氨基吡啶 、 利福霉素 生成 (12S,3E,5S,13E,15Z)-7t-acetoxy-15,6,9c,11t-tetrahydroxy-5r-methoxy-12,4,6t,8c,10c,12t,16-heptamethyl-2-oxa-18-aza-1(2,7)-furo[2',3':5,6]benzo[1,2-f]pyrido[3,2-b]quinoxalina-cyclooctadecaphane-3,13,15-triene-11,17-dione
  参考文献：
  名称：

  Zur Kenntnis von Rifamycin-S. Reaktionen des chinoiden Nucleus. Modifikationen von Antibiotica, 9. Mitteilung [1]

  摘要：

  AbstractThe reactivity of rifamycin‐S (1) with respect to nucleophilic reagents has been studied. Several new classes of derivatives, some of which show interesting biological activities, are described.

  DOI：

  10.1002/hlca.19730560720