3-[29,33,37-Tris(3-phosphonooxypropyl)-6,12,18,39-tetrakis(prop-2-ynoxy)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(38),5,7(34),11(32),12,17(28),18,23(39),24(40),26,30,35-dodecaen-25-yl]propyl dihydrogen phosphate | 1289634-70-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-[29,33,37-Tris(3-phosphonooxypropyl)-6,12,18,39-tetrakis(prop-2-ynoxy)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(38),5,7(34),11(32),12,17(28),18,23(39),24(40),26,30,35-dodecaen-25-yl]propyl dihydrogen phosphate
• 英文别名: 3-[29,33,37-tris(3-phosphonooxypropyl)-6,12,18,39-tetrakis(prop-2-ynoxy)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(38),5,7(34),11(32),12,17(28),18,23(39),24(40),26,30,35-dodecaen-25-yl]propyl dihydrogen phosphate
• CAS: 1289634-70-3
• 化学式: C₅₆H₆₀O₂₈P₄
• 分子量: 1304.97
• InChiKey: GDWNNZJYTAPHCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  88
• 可旋转键数：
  28
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  378
• 氢给体数：
  8
• 氢受体数：
  28

反应信息

• 作为反应物：
  描述：

  5'-azido-5'-deoxyguanosine 、 3-[29,33,37-Tris(3-phosphonooxypropyl)-6,12,18,39-tetrakis(prop-2-ynoxy)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(38),5,7(34),11(32),12,17(28),18,23(39),24(40),26,30,35-dodecaen-25-yl]propyl dihydrogen phosphate 、 三乙胺 在 copper(ll) sulfate pentahydrate 、 sodium ascorbate 作用下， 以 Mili-Q water 、 二甲基亚砜 、 水 为溶剂， 反应 20.0h， 以31%的产率得到
  参考文献：
  名称：

  Synthesis of a water-soluble triazole-linked cavitand–guanosine conjugate

  摘要：

  A convergent synthesis of a water-soluble cavitand bearing four triazole-linked guanosines was achieved. The critical coupling reaction entailed a copper-catalysed azide-alkyne cycloaddition between 5'-azido-5'-deoxyguanosine and a cavitand template functionalized with propargyl ether rim groups and water-solubilizing phosphate pendant groups. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.02.017
• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 以99%的产率得到3-[29,33,37-Tris(3-phosphonooxypropyl)-6,12,18,39-tetrakis(prop-2-ynoxy)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(38),5,7(34),11(32),12,17(28),18,23(39),24(40),26,30,35-dodecaen-25-yl]propyl dihydrogen phosphate
  参考文献：
  名称：

  Synthesis of a water-soluble triazole-linked cavitand–guanosine conjugate

  摘要：

  A convergent synthesis of a water-soluble cavitand bearing four triazole-linked guanosines was achieved. The critical coupling reaction entailed a copper-catalysed azide-alkyne cycloaddition between 5'-azido-5'-deoxyguanosine and a cavitand template functionalized with propargyl ether rim groups and water-solubilizing phosphate pendant groups. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.02.017

文献信息

• Synthesis of a water-soluble triazole-linked cavitand–guanosine conjugate
  作者：Mehran Nikan、Grant A.L. Bare、John C. Sherman

  DOI：10.1016/j.tetlet.2011.02.017

  日期：2011.4

  A convergent synthesis of a water-soluble cavitand bearing four triazole-linked guanosines was achieved. The critical coupling reaction entailed a copper-catalysed azide-alkyne cycloaddition between 5'-azido-5'-deoxyguanosine and a cavitand template functionalized with propargyl ether rim groups and water-solubilizing phosphate pendant groups. (C) 2011 Elsevier Ltd. All rights reserved.