3'-O-methyladenosine-5'-monophosphate | 60091-04-5

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷酸
• 英文名称: 3'-O-methyladenosine-5'-monophosphate
• 英文别名: 3'-O-methyladenosine 5'-phosphate；3'-O-Methyl-AMP；O^3'-methyl-[5']adenylic acid；3'-O-Methyladenosine 5'-(dihydrogen phosphate)；[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-methoxyoxolan-2-yl]methyl dihydrogen phosphate
• CAS: 60091-04-5
• 化学式: C₁₁H₁₆N₅O₇P
• 分子量: 361.251
• InChiKey: RUDAEXXULRVEOW-IOSLPCCCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  175
• 氢给体数：
  4
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  3'-甲氧基腺苷 在 磷酸三乙酯 、 三氯氧磷 、 氢氧化钾 作用下， 以 水 为溶剂， 反应 5.0h， 以44%的产率得到3'-O-methyladenosine-5'-monophosphate
  参考文献：
  名称：

  cADPR Analogues:  Effect of an Adenosine 2‘- or 3‘-Methoxy Group on Conformation

  摘要：

  [GRAPHICS]The 2'-OMe-A (2) and 3'-OMe-A (3) analogues of the calcium release agent cADPR (1) were prepared and their solution structures studied by NMR spectroscopy. Compared to 1, 2 shows a shift in its A ring conformation and changes in its R ring N:S and gamma(t):gamma(+) ratios, while 3 displays a significant change in the conformation of its A ring gamma-bond.

  DOI：

  10.1021/ol036152r

文献信息

• cADPR Analogues:  Effect of an Adenosine 2‘- or 3‘-Methoxy Group on Conformation
  作者：Steven M. Graham、Daniel J. Macaya、Raghuvir N. Sengupta、Kevin B. Turner

  DOI：10.1021/ol036152r

  日期：2004.1.1

  [GRAPHICS]The 2'-OMe-A (2) and 3'-OMe-A (3) analogues of the calcium release agent cADPR (1) were prepared and their solution structures studied by NMR spectroscopy. Compared to 1, 2 shows a shift in its A ring conformation and changes in its R ring N:S and gamma(t):gamma(+) ratios, while 3 displays a significant change in the conformation of its A ring gamma-bond.