1-[(2R,4R,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-(2-thioxo-3-oxa-1-thia-2λ5-phospha-spiro[4.5]dec-2-yloxy)-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione | 198637-82-0

• 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: 1-[(2R,4R,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-(2-thioxo-3-oxa-1-thia-2λ5-phospha-spiro[4.5]dec-2-yloxy)-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione
• CAS: 198637-82-0
• 化学式: C₃₈H₄₃N₂O₈PS₂
• 分子量: 750.874
• InChiKey: LEASHXLRILKAPJ-HAYWSEALSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.23
• 重原子数：
  51.0
• 可旋转键数：
  11.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  110.24
• 氢给体数：
  1.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  1-[(2R,4R,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-(2-thioxo-3-oxa-1-thia-2λ5-phospha-spiro[4.5]dec-2-yloxy)-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione 在 二氯乙酸 、 ammonium hydroxide 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Deoxyxylothymidine 3′-O-phosphorothioates: Synthesis, stereochemistry and stereocontrolled incorporation into oligothymidylates

  摘要：

  New reagent, 5'-O-DMT-xylothymidine 3'-O-(2-thio-4,4-spiropentamethylene-1,3,2-oxathiaphospholane) and its separated diastereomers can be used for stereocontrolled incorporation of xylothymidine 3'-O-phosphorothioate of predetermined sense of P-chirality into desired oligonucleotide constructs. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10040-3
• 作为产物：
  描述：

  1-(2'-deoxy-5'-O-4,4'-dimethoxytrityl-β-D-threo-pentofuranosyl)-thymine 、 2-chloro-4,4-pentamethylene-1,3,2-oxathiaphospholane 在 1,2,3,4,5,6,7,8-八硫杂环辛烷 、 N,N-二异丙基乙胺 作用下， 生成 1-[(2R,4R,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-(2-thioxo-3-oxa-1-thia-2λ5-phospha-spiro[4.5]dec-2-yloxy)-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Deoxyxylothymidine 3′-O-phosphorothioates: Synthesis, stereochemistry and stereocontrolled incorporation into oligothymidylates

  摘要：

  New reagent, 5'-O-DMT-xylothymidine 3'-O-(2-thio-4,4-spiropentamethylene-1,3,2-oxathiaphospholane) and its separated diastereomers can be used for stereocontrolled incorporation of xylothymidine 3'-O-phosphorothioate of predetermined sense of P-chirality into desired oligonucleotide constructs. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10040-3