[(2R,3S,5R)-2-[[2-cyanoethoxy-[(2R,3S,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]sulfanylphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate | 119009-80-2

• 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: [(2R,3S,5R)-2-[[2-cyanoethoxy-[(2R,3S,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]sulfanylphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
• CAS: 119009-80-2
• 化学式: C₄₅H₄₈N₅O₁₃PS
• 分子量: 929.942
• InChiKey: KXDFEZJZTFZFQU-HFRSBZBMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  65
• 可旋转键数：
  19
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  247
• 氢给体数：
  2
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  [(2R,3S,5R)-2-[[2-cyanoethoxy-[(2R,3S,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]sulfanylphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate 生成 azane;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]sulfanylphosphinic acid
  参考文献：
  名称：

  COSSTICK, RICHARD;VYLE, JOSEPH S., J. CHEM. SOC. CHEM. COMMUN.,(1988) N 15, 992-993

  摘要：

  DOI：
• 作为产物：
  描述：

  [(2R,3S,5R)-2-[[2-cyanoethoxy-[(2R,3S,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]sulfanylphosphanyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate 在 2,6-二甲基吡啶 、 四丁基高碘酸铵 作用下， 以 二氯甲烷 为溶剂， 生成 [(2R,3S,5R)-2-[[2-cyanoethoxy-[(2R,3S,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]sulfanylphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
  参考文献：
  名称：

  Solid phase synthesis of oligonucleotides containing 3′-thiothymidine

  摘要：

  DOI：

  10.1016/s0040-4039(01)80776-0

文献信息

• Synthesis and phosphorus–sulphur bond cleavage of 3′-thiothymidylyl(3′-5′)thymidine
  作者：Richard Cosstick、Joseph S. Vyle

  DOI：10.1039/c39880000992

  日期：——

  The title compound is readily prepared from 5′-O-monomethoxytrityl-3′-thiothymidine (5); cleavage of the P–S bond can be accomplished by mild oxidative hydrolysis.

  标题化合物易于由5'- O-单甲氧基三苯甲基-3'-硫代胸苷（5）制备；参见图5。P–S键的裂解可通过温和的氧化水解来完成。
• Li, Xiang; Scott, Gerard K.; Baxter, Anthony D., Journal of the Chemical Society. Perkin transactions I, 1994, # 15, p. 2123 - 2130
  作者：Li, Xiang、Scott, Gerard K.、Baxter, Anthony D.、Taylor, Roger J.、Vyle, Joseph S.、Cosstick, Richard

  DOI：——

  日期：——
• COSSTICK, RICHARD;VYLE, JOSEPH S., TETRAHEDRON LETT., 30,(1989) N5, C. 4093-4096
  作者：COSSTICK, RICHARD、VYLE, JOSEPH S.

  DOI：——

  日期：——