1-[(2R,3R,3aR,9aR)-5,5,7,7-Tetraisopropyl-3-(2-thioxo-2λ5-[1,3,2]dithiaphospholan-2-yloxy)-tetrahydro-1,4,6,8-tetraoxa-5,7-disila-cyclopentacycloocten-2-yl]-1H-pyrimidine-2,4-dione | 477337-83-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[(2R,3R,3aR,9aR)-5,5,7,7-Tetraisopropyl-3-(2-thioxo-2λ5-[1,3,2]dithiaphospholan-2-yloxy)-tetrahydro-1,4,6,8-tetraoxa-5,7-disila-cyclopentacycloocten-2-yl]-1H-pyrimidine-2,4-dione
• CAS: 477337-83-0
• 化学式: C₂₃H₄₁N₂O₇PS₃Si₂
• 分子量: 640.93
• InChiKey: WYRSDHIJYNFFDB-ZHHKINOHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.48
• 重原子数：
  38.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  101.01
• 氢给体数：
  1.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  四丁基氟化铵 、 1-[(2R,3R,3aR,9aR)-5,5,7,7-Tetraisopropyl-3-(2-thioxo-2λ5-[1,3,2]dithiaphospholan-2-yloxy)-tetrahydro-1,4,6,8-tetraoxa-5,7-disila-cyclopentacycloocten-2-yl]-1H-pyrimidine-2,4-dione 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of P-Fluorodithioacids of Phosphorus and Their Synthetic Application

  摘要：

  Oligonucleotides containing 3'-S-P(S) and 5-S-P(S) fragments in the deoxy-series are available only by tedious multistep procedures. We have developed a novel and efficient methodology based on ring opening of anhydronucleosides by phosphorus dithioacids. This approach allows efficient synthesis of modified dinucleotides of the ribo-series.

  DOI：

  10.1080/10426500212294
• 作为产物：
  描述：

  3',5'-O-(1,1,3,3-四异丙基-1,3-二硅氧烷)尿苷 在 三甲基氯硅烷 、 sulfur 作用下， 以 四氢呋喃 为溶剂， 生成 1-[(2R,3R,3aR,9aR)-5,5,7,7-Tetraisopropyl-3-(2-thioxo-2λ5-[1,3,2]dithiaphospholan-2-yloxy)-tetrahydro-1,4,6,8-tetraoxa-5,7-disila-cyclopentacycloocten-2-yl]-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis of P-Fluorodithioacids of Phosphorus and Their Synthetic Application

  摘要：

  Oligonucleotides containing 3'-S-P(S) and 5-S-P(S) fragments in the deoxy-series are available only by tedious multistep procedures. We have developed a novel and efficient methodology based on ring opening of anhydronucleosides by phosphorus dithioacids. This approach allows efficient synthesis of modified dinucleotides of the ribo-series.

  DOI：

  10.1080/10426500212294