| 412048-08-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 412048-08-9
• 化学式: C₄₆H₆₄N₄O₁₂
• 分子量: 865.034
• InChiKey: YVQXXTVRGIWXBO-JVDRRPHZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  62.0
• 可旋转键数：
  6.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  184.85
• 氢给体数：
  1.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  在 戴斯-马丁氧化剂 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 22.0h， 生成 (4S,5R,8R,10R,11R,12R,15S,19R,21R,22R,24R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-4,8,10,12,22,24-hexamethyl-18-quinolin-3-yl-3,6,13,16-tetraoxa-1,17-diazatetracyclo[10.8.5.04,21.015,19]pentacos-17-ene-2,7,9,23-tetrone
  参考文献：
  名称：

  Regioselective Synthesis of Bifunctional Macrolides for Probing Ribosomal Binding

  摘要：

  [GRAPHICS]Bifunctional macrolides projecting an anchor group to the right or left spatial position of the lactone ring were synthesized. The regioselectivity of the key [3 + 2] cycloaddition process was controlled by the remote cladinose group attached to the C-3 position. These conformationally constrained molecules were employed as molecular probes to study the ribosomal binding sites of bifunctional macrolide antibiotics.

  DOI：

  10.1021/ol025554g
• 作为产物：
  描述：

  2',4''-O-diacetyl-6-O-allyl-12-O-acylimidazolyl erythromycin A 在 Grubbs catalyst first generation 盐酸 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 137.0h， 生成
  参考文献：
  名称：

  Regioselective Synthesis of Bifunctional Macrolides for Probing Ribosomal Binding

  摘要：

  [GRAPHICS]Bifunctional macrolides projecting an anchor group to the right or left spatial position of the lactone ring were synthesized. The regioselectivity of the key [3 + 2] cycloaddition process was controlled by the remote cladinose group attached to the C-3 position. These conformationally constrained molecules were employed as molecular probes to study the ribosomal binding sites of bifunctional macrolide antibiotics.

  DOI：

  10.1021/ol025554g