1-((2R,4S,5S)-5-(((tert-butyldimethylsilyl)oxy)methyl)-4-(2-((((2R,3S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((triethylsilyl)oxy)tetrahydrofuran-2-yl)methyl)amino)ethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione | 172033-22-6

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: 1-((2R,4S,5S)-5-(((tert-butyldimethylsilyl)oxy)methyl)-4-(2-((((2R,3S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((triethylsilyl)oxy)tetrahydrofuran-2-yl)methyl)amino)ethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
• CAS: 172033-22-6
• 化学式: C₃₄H₅₉N₅O₈Si₂
• 分子量: 722.042
• InChiKey: RTAXAHCSEVTZFB-YHRKHFDESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.29
• 重原子数：
  49.0
• 可旋转键数：
  15.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  158.67
• 氢给体数：
  3.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  戊酸酐 、 1-((2R,4S,5S)-5-(((tert-butyldimethylsilyl)oxy)methyl)-4-(2-((((2R,3S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((triethylsilyl)oxy)tetrahydrofuran-2-yl)methyl)amino)ethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Modified ollgonucleotides. Effect of 4 vs 5-atom chimeric internucleoside linkages on duplex stability

  摘要：

  The question whether a four or a five atom non phosphorus based internucleoside link leads to stronger binding of the resulting chimeric oligonucleotides to complementary sequences has been examined by comparing melting temperatures of relevant duplexes.

  DOI：

  10.1016/0040-4039(95)01320-h
• 作为产物：
  描述：

  2-[(2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetaldehyde 、 1-((2R,4S,5R)-5-Aminomethyl-4-triethylsilanyloxy-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione 在 3 A molecular sieve 、 sodium cyanoborohydride 作用下， 以 甲醇 为溶剂， 以65%的产率得到1-((2R,4S,5S)-5-(((tert-butyldimethylsilyl)oxy)methyl)-4-(2-((((2R,3S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((triethylsilyl)oxy)tetrahydrofuran-2-yl)methyl)amino)ethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
  参考文献：
  名称：

  Modified ollgonucleotides. Effect of 4 vs 5-atom chimeric internucleoside linkages on duplex stability

  摘要：

  The question whether a four or a five atom non phosphorus based internucleoside link leads to stronger binding of the resulting chimeric oligonucleotides to complementary sequences has been examined by comparing melting temperatures of relevant duplexes.

  DOI：

  10.1016/0040-4039(95)01320-h