phosphoric acid mono-[3,4-dihydroxy-5-(8-hydroxy-6-methyl-9-oxo-5,7,8,9-tetrahydro-6H-1,3,4,5,8a-pentaaza-cyclopenta[b]naphthalen-3-yl)-tetrahydrofuran-2-ylmethyl] ester

• 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: phosphoric acid mono-[3,4-dihydroxy-5-(8-hydroxy-6-methyl-9-oxo-5,7,8,9-tetrahydro-6H-1,3,4,5,8a-pentaaza-cyclopenta[b]naphthalen-3-yl)-tetrahydrofuran-2-ylmethyl] ester
• 英文别名: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(8-hydroxy-6-methyl-10-oxo-5,6,7,8-tetrahydropyrimido[1,2-a]purin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate
• 化学式: C₁₄H₂₀N₅O₉P
• 分子量: 433.315
• InChiKey: ASXSBFPYQUYUIH-HZPYULPISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.8
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  199
• 氢给体数：
  6
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  乙醛 、 鸟苷酸 在 L-精氨酸 作用下， 以 phosphate buffer 为溶剂， 生成 phosphoric acid mono-[3,4-dihydroxy-5-(8-hydroxy-6-methyl-9-oxo-5,7,8,9-tetrahydro-6H-1,3,4,5,8a-pentaaza-cyclopenta[b]naphthalen-3-yl)-tetrahydrofuran-2-ylmethyl] ester
  参考文献：
  名称：

  在鸟嘌呤核苷和核苷酸与乙醛反应中平稳，选择性地形成环状1，N 2-丙烷加合物

  摘要：

  在含有碱性氨基酸（如精氨酸和赖氨酸）的pH 8.0磷酸盐缓冲液中，用过量的乙醛处理鸟嘌呤核苷和核苷酸，即使在温和条件下，也能平稳，选择性地形成相应的环状1，N 2-丙烷加合物。

  DOI：

  10.1016/s0040-4039(02)01530-7

文献信息

• A convenient preparative method for the 1,N2-cyclic adducts of guanine nucleosides and nucleotides with crotonaldehyde
  作者：Magoichi Sako、Isamu Yaekura

  DOI：10.1016/s0040-4020(02)01047-5

  日期：2002.10

  The treatment of guanine nucleosides and nucleotides with excess crotonaldehyde in pH 8.0 phosphate buffer containing an equimolar amount of L-arginine at 50degreesC for 2 h resulted in the selective formation of the corresponding cyclic 1,N-2 -propano adducts as a mixture of its diastercomers. 0 2002 Elsevier Science Ltd. All rights reserved.
• Smooth and selective formation of the cyclic 1,N2-propano adducts in the reactions of guanine nucleosides and nucleotides with acetaldehyde
  作者：Magoichi Sako、Isamu Yaekura、Yoshihiro Deyashiki

  DOI：10.1016/s0040-4039(02)01530-7

  日期：2002.9

  guanine nucleosides and nucleotides with excess acetaldehyde in pH 8.0 phosphate buffer containing a basic amino acid such as arginine and lysine resulted in the smooth and selective formation of the corresponding cyclic 1,N2-propano adducts even under mild conditions.

  在含有碱性氨基酸（如精氨酸和赖氨酸）的pH 8.0磷酸盐缓冲液中，用过量的乙醛处理鸟嘌呤核苷和核苷酸，即使在温和条件下，也能平稳，选择性地形成相应的环状1，N 2-丙烷加合物。