Acetic acid (2S,3R,4S,6R)-4-dimethylamino-2-{(3R,5R,6R,7R,9R,11S,12R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-10-[(E)-4-methoxy-phenoxymethoxyimino]-3,5,7,9,11,13-hexamethyl-2,4-dioxo-oxacyclotetradec-6-yloxy}-6-methyl-tetrahydro-pyran-3-yl ester | 876316-06-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Acetic acid (2S,3R,4S,6R)-4-dimethylamino-2-{(3R,5R,6R,7R,9R,11S,12R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-10-[(E)-4-methoxy-phenoxymethoxyimino]-3,5,7,9,11,13-hexamethyl-2,4-dioxo-oxacyclotetradec-6-yloxy}-6-methyl-tetrahydro-pyran-3-yl ester
• CAS: 876316-06-2
• 化学式: C₄₀H₆₄N₂O₁₃
• 分子量: 780.954
• InChiKey: RRGHFNOFSKZXIF-HJZAUYJJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.14
• 重原子数：
  55.0
• 可旋转键数：
  11.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  181.11
• 氢给体数：
  2.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  Acetic acid (2S,3R,4S,6R)-4-dimethylamino-2-{(3R,5R,6R,7R,9R,11S,12R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-10-[(E)-4-methoxy-phenoxymethoxyimino]-3,5,7,9,11,13-hexamethyl-2,4-dioxo-oxacyclotetradec-6-yloxy}-6-methyl-tetrahydro-pyran-3-yl ester 在 甲醇 作用下， 生成
  参考文献：
  名称：

  Design, synthesis, and anti-Helicobacter pylori activity of erythromycin A (E)-9-oxime ether derivatives

  摘要：

  The synthesis and anti-Helicobacter pylori (H. pylori) activity evaluation of a new series of erythromycin A (E)-9-oxime ether derivatives are described. These compounds exhibited comparable in vitro anti-H. pylori activity and improved acid stability compared to the reference compound clarithromycin. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.045
• 作为产物：
  描述：

  在 盐酸 、 氢氧化钾 、 甲酸 、 jones reagent 、 potassium carbonate 作用下， 以 四氢呋喃 、 乙醇 、 二甲基亚砜 、 丙酮 为溶剂， 反应 2.0h， 生成 Acetic acid (2S,3R,4S,6R)-4-dimethylamino-2-{(3R,5R,6R,7R,9R,11S,12R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-10-[(E)-4-methoxy-phenoxymethoxyimino]-3,5,7,9,11,13-hexamethyl-2,4-dioxo-oxacyclotetradec-6-yloxy}-6-methyl-tetrahydro-pyran-3-yl ester
  参考文献：
  名称：

  Design, synthesis, and anti-Helicobacter pylori activity of erythromycin A (E)-9-oxime ether derivatives

  摘要：

  The synthesis and anti-Helicobacter pylori (H. pylori) activity evaluation of a new series of erythromycin A (E)-9-oxime ether derivatives are described. These compounds exhibited comparable in vitro anti-H. pylori activity and improved acid stability compared to the reference compound clarithromycin. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.045