3-[[(2R,4S,5R,10S,11R,13R,18R,19S)-11-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4,18-dihydroxy-18,24-dimethyl-8,15,17,22-tetraoxo-7,9,12,26-tetraoxa-1,14,16,21-tetraza-8λ5-phosphapentacyclo[18.2.2.12,5.110,13.014,19]hexacosa-20,23-dien-8-yl]oxy]propanenitrile | 194476-96-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 3-[[(2R,4S,5R,10S,11R,13R,18R,19S)-11-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4,18-dihydroxy-18,24-dimethyl-8,15,17,22-tetraoxo-7,9,12,26-tetraoxa-1,14,16,21-tetraza-8λ5-phosphapentacyclo[18.2.2.12,5.110,13.014,19]hexacosa-20,23-dien-8-yl]oxy]propanenitrile
• CAS: 194476-96-5
• 化学式: C₄₄H₄₈N₅O₁₄P
• 分子量: 901.864
• InChiKey: KMGCRMMLSODNFL-ANYPXHFKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  64
• 可旋转键数：
  11
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  237
• 氢给体数：
  3
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  2-氰乙基N,N-二异丙基氯亚磷酰胺 、 3-[[(2R,4S,5R,10S,11R,13R,18R,19S)-11-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4,18-dihydroxy-18,24-dimethyl-8,15,17,22-tetraoxo-7,9,12,26-tetraoxa-1,14,16,21-tetraza-8λ5-phosphapentacyclo[18.2.2.12,5.110,13.014,19]hexacosa-20,23-dien-8-yl]oxy]propanenitrile 在 N,N-二异丙基乙胺 作用下， 以85%的产率得到3-[[(2R,4S,5R,10S,11R,13R,18R,19S)-11-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-8-(2-cyanoethoxy)-18-hydroxy-18,24-dimethyl-8,15,17,22-tetraoxo-7,9,12,26-tetraoxa-1,14,16,21-tetraza-8lambda5-phosphapentacyclo[18.2.2.12,5.110,13.014,19]hexacosa-20,23-dien-4-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
  参考文献：
  名称：

  Synthesis of a Phosphoramidite Coupling Unit of the Pyrimidine (6−4) Pyrimidone Photoproduct and Its Incorporation into Oligodeoxynucleotides

  摘要：

  DOI：

  10.1021/ja9603158
• 作为产物：
  描述：

  [(2R,4S,5R,10S,11R,13R,18R,19S)-8-(2-cyanoethoxy)-18-hydroxy-11-(hydroxymethyl)-18,24-dimethyl-8,15,17,22-tetraoxo-7,9,12,26-tetraoxa-1,14,16,21-tetraza-8lambda5-phosphapentacyclo[18.2.2.12,5.110,13.014,19]hexacosa-20,23-dien-4-yl] 4-oxopentanoate 在 吡啶 、 一水合肼 、 溶剂黄146 作用下， 生成 3-[[(2R,4S,5R,10S,11R,13R,18R,19S)-11-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4,18-dihydroxy-18,24-dimethyl-8,15,17,22-tetraoxo-7,9,12,26-tetraoxa-1,14,16,21-tetraza-8λ5-phosphapentacyclo[18.2.2.12,5.110,13.014,19]hexacosa-20,23-dien-8-yl]oxy]propanenitrile
  参考文献：
  名称：

  Synthesis of a Phosphoramidite Coupling Unit of the Pyrimidine (6−4) Pyrimidone Photoproduct and Its Incorporation into Oligodeoxynucleotides

  摘要：

  DOI：

  10.1021/ja9603158