[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methoxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate | 88459-54-5

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷酸
• 英文名称: [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methoxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
• CAS: 88459-54-5
• 化学式: C₂₃H₃₁N₄O₁₃P
• 分子量: 602.492
• InChiKey: RXTKKRJETJZTBM-SUYZXJTCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.18
• 重原子数：
  41.0
• 可旋转键数：
  10.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  219.99
• 氢给体数：
  3.0
• 氢受体数：
  17.0

反应信息

• 作为反应物：
  描述：

  [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methoxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate 在 sodium hydroxide 、 三乙胺 、 4-甲苯硫酚 作用下， 生成 胸苷酰(3'->5')胸苷铵盐
  参考文献：
  名称：

  Konstantinov, V. V.; Misharin, A. Yu., Russian Journal of Organic Chemistry, 1983, vol. 19, # 10, p. 1938 - 1939

  摘要：

  DOI：
• 作为产物：
  描述：

  在 2,4,6-triisopropylbenzenesulfonyl tetrazolide 、 三氟乙酸 、 正丁醇 作用下， 生成 [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methoxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
  参考文献：
  名称：

  Konstantinov, V. V.; Misharin, A. Yu., Russian Journal of Organic Chemistry, 1983, vol. 19, # 10, p. 1938 - 1939

  摘要：

  DOI：

文献信息

• A parallel right-handed duplex of the hexamer d(TpTpTpTpTpT) with phosphate triester linkages
  作者：Leo H. Koole、Marcel H. P. Van Genderen、Hendrik M. Buck

  DOI：10.1021/ja00247a015

  日期：1987.6

  In this paper it is proposed that the ion-molecule reaction between Cr(CO)5- and O2 to produce Cr(C0)302- and Cr(CO),Ooccurs by a competitive reaction mechanism. The two mechanisms involve (i) simple ligand exchange to produce the Cr(CO),O,anion and (ii) addition of O2 to Cr(CO),- followed by intramolecular nucleophilic addition of 0- to a CO ligand to form Cr(CO),O- and CO plus C02. A surprisingly

  本文提出Cr(CO)5-和O2之间产生Cr(CO)302-和Cr(CO)的离子-分子反应是通过竞争反应机制发生的。这两种机制涉及 (i) 简单的配体交换以产生 Cr(CO),O, 阴离子和 (ii) 将 O2 添加到 Cr(CO)，然后将 0- 分子内亲核添加到 CO 配体以形成 Cr (CO)、O-和CO加CO 2 。观察到 Cr(CO) < 与 O 2 反应速率的惊人大的温度依赖性。反应速率的强烈温度依赖性归因于高能 [Cr(CO),-] * 物种的形成。高能 Cr(CO), 阴离子可以通过 Cr(CO)6 的热分解形成高自旋态的 Cr(CO)5，随后通过电子附着电离得到 [Cr(CO), -一世*。
• Rapid and Efficient Syntheses of Phosphorylated Dinucleotides
  作者：James P. Ferris、John R. Peyser

  DOI：10.1080/15257779408011881

  日期：1994.6

  Nine or ten-step solution phase syntheses of the dimers dpApA, dApAp, dpTpT and dTpTp in 0.1-0.5 g amounts, in overall yields of 49%, 45%, 32%, and 20% respectively, are described. The synthetic intermediates were characterized by H-1 and P-31 NMR and the structures of the final products were established by hydrolysis with alkaline phosphatase and comparison of the products with authentic samples.