[[(3aR,4R,6R,6aR)-2,2-dimethyl-4-[4-[4-(2-methyl-1,3-dioxolan-2-yl)butylamino]-2-oxopyrimidin-1-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate | 303180-44-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [[(3aR,4R,6R,6aR)-2,2-dimethyl-4-[4-[4-(2-methyl-1,3-dioxolan-2-yl)butylamino]-2-oxopyrimidin-1-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
• CAS: 303180-44-1
• 化学式: C₂₀H₃₄N₃O₁₆P₃
• 分子量: 665.422
• InChiKey: WOBYAZFYVYGCSW-MWQQHZPXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.6
• 重原子数：
  42
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  251
• 氢给体数：
  5
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  [[(3aR,4R,6R,6aR)-2,2-dimethyl-4-[4-[4-(2-methyl-1,3-dioxolan-2-yl)butylamino]-2-oxopyrimidin-1-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate 在 三氟乙酸 作用下， 反应 0.25h， 生成
  参考文献：
  名称：

  Synthesis of Methylketone Containing Nucleoside Triphosphates for RNA Labelling

  摘要：

  The three nucleoside triphosphates 1, 2 and 3 bearing a linker with a terminal methylketone group were prepared for incorporation into RNA fragments and post-labelling by the fluorescein derivative 4 containing an aminooxy group. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00577-9
• 作为产物：
  描述：

  5'-O-(t-butyldimethylsilyl)-2',3'-O-isopropylideneuridine 在 2-chloro-4H-1,3,2-dioxaphosphorin-4-one 、 四丁基氟化铵 、 potassium carbonate 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 吡啶 、 二氯甲烷 、 乙腈 为溶剂， 反应 5.83h， 生成 [[(3aR,4R,6R,6aR)-2,2-dimethyl-4-[4-[4-(2-methyl-1,3-dioxolan-2-yl)butylamino]-2-oxopyrimidin-1-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
  参考文献：
  名称：

  Synthesis of Methylketone Containing Nucleoside Triphosphates for RNA Labelling

  摘要：

  The three nucleoside triphosphates 1, 2 and 3 bearing a linker with a terminal methylketone group were prepared for incorporation into RNA fragments and post-labelling by the fluorescein derivative 4 containing an aminooxy group. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00577-9

文献信息

• Synthesis of Methylketone Containing Nucleoside Triphosphates for RNA Labelling
  作者：Emmanuelle Trévisiol、Eric Defrancq、Jean Lhomme、Ali Laayoun、Philippe Cros

  DOI：10.1016/s0040-4020(00)00577-9

  日期：2000.8

  The three nucleoside triphosphates 1, 2 and 3 bearing a linker with a terminal methylketone group were prepared for incorporation into RNA fragments and post-labelling by the fluorescein derivative 4 containing an aminooxy group. (C) 2000 Elsevier Science Ltd. All rights reserved.