[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-[4-[[2-(acetyloxymethyl)benzoyl]amino]-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-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] 4-oxopentanoate | 132164-62-6

• 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-[[[(2R,3S,5R)-5-[4-[[2-(acetyloxymethyl)benzoyl]amino]-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-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] 4-oxopentanoate
• CAS: 132164-62-6
• 化学式: C₄₈H₅₈N₈O₂₃P₂
• 分子量: 1176.98
• InChiKey: TUIRQZSWJDLHDY-RUEASOPKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3
• 重原子数：
  81
• 可旋转键数：
  28
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  392
• 氢给体数：
  4
• 氢受体数：
  24

反应信息

• 作为反应物：
  描述：

  [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-[4-[[2-(acetyloxymethyl)benzoyl]amino]-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-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] 4-oxopentanoate 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 6.0h， 生成
  参考文献：
  名称：

  The 2-(acetoxymethyl)benzoyl (AMB) group as a new base-protecting group, designed for the protection of (phosphate) modified oligonucleotides.

  摘要：

  DOI：

  10.1016/s0040-4039(00)97159-4
• 作为产物：
  描述：

  Acetic acid 2-(1-{(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-2-oxo-1,2-dihydro-pyrimidin-4-ylcarbamoyl)-benzyl ester 生成 [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-[4-[[2-(acetyloxymethyl)benzoyl]amino]-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-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] 4-oxopentanoate
  参考文献：
  名称：

  The 2-(acetoxymethyl)benzoyl (AMB) group as a new base-protecting group, designed for the protection of (phosphate) modified oligonucleotides.

  摘要：

  DOI：

  10.1016/s0040-4039(00)97159-4

文献信息

• KUIJPERS, W. H. A.;HUSKENS, J.;BOECKEL, C. A. A. VAN, TETRAHEDRON LETT., 31,(1990) N6, C. 6729-6732
  作者：KUIJPERS, W. H. A.、HUSKENS, J.、BOECKEL, C. A. A. VAN

  DOI：——

  日期：——