2',3',5'-tri-O-benzoyladenosine 6-N-

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: 2',3',5'-tri-O-benzoyladenosine 6-N-
• 英文别名: 2',3',5'-tri-O-benzoyladenosine 6-N-(O,O-bis(2-cyanoethyl)phosphorothioamidate)；[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-[6-[bis(2-cyanoethoxy)phosphinothioylamino]purin-9-yl]oxolan-2-yl]methyl benzoate
• 化学式: C₃₇H₃₂N₇O₉PS
• 分子量: 781.742
• InChiKey: VXXZSJQNSKZEIA-UTBAFCPYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  55
• 可旋转键数：
  19
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  242
• 氢给体数：
  1
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  双(2-氰乙基)-N,N-二异丙基亚磷酰胺 在 四氮唑 、 二硫化四乙基秋兰姆 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 3.0h， 生成 2',3',5'-tri-O-benzoyladenosine 6-N-
  参考文献：
  名称：

  Synthesis and Properties of N-Phosphorylated Ribonucleosides

  摘要：

  A new class of phosphorylated nucleosides, i.e., adenosine 6-N-phosphoramidate (6-N-AMP) and related derivatives, were synthesized in good yields via phosphitylation of the amino group of appropriately protected adenosine derivatives. In a similar manner, cytidine 4-N-phosphoramidate (4-N-CMP), guanosine 2-N-phosphoramidate (2-N-GMP), and their diethyl ester derivatives were synthesized. These new compounds were characterized by H-1, C-13, and P-31 NMR, UV, CD, IR, electrophoresis, and mass spectroscopy. The physical and chemical properties of these N-phosphorylated ribonucleoside derivatives have been studied in detail.

  DOI：

  10.1021/ja00101a011

文献信息

• Synthesis and Properties of N-Phosphorylated Ribonucleosides
  作者：Takeshi Wada、Tomohisa Moriguchi、Mitsuo Sekine

  DOI：10.1021/ja00101a011

  日期：1994.11

  A new class of phosphorylated nucleosides, i.e., adenosine 6-N-phosphoramidate (6-N-AMP) and related derivatives, were synthesized in good yields via phosphitylation of the amino group of appropriately protected adenosine derivatives. In a similar manner, cytidine 4-N-phosphoramidate (4-N-CMP), guanosine 2-N-phosphoramidate (2-N-GMP), and their diethyl ester derivatives were synthesized. These new compounds were characterized by H-1, C-13, and P-31 NMR, UV, CD, IR, electrophoresis, and mass spectroscopy. The physical and chemical properties of these N-phosphorylated ribonucleoside derivatives have been studied in detail.