N-{8-Bromo-9-[(4aR,6R,7R,7aR)-2,2-di-tert-butyl-7-(tert-butyl-dimethyl-silanyloxy)-tetrahydro-furo[3,2-d][1,3,2]dioxasilin-6-yl]-6-oxo-6,9-dihydro-1H-purin-2-yl}-isobutyramide | 192316-99-7

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: N-{8-Bromo-9-[(4aR,6R,7R,7aR)-2,2-di-tert-butyl-7-(tert-butyl-dimethyl-silanyloxy)-tetrahydro-furo[3,2-d][1,3,2]dioxasilin-6-yl]-6-oxo-6,9-dihydro-1H-purin-2-yl}-isobutyramide
• CAS: 192316-99-7
• 化学式: C₂₈H₄₈BrN₅O₆Si₂
• 分子量: 686.794
• InChiKey: GEANSOCTXSSVHK-DYVMYPEFSA-N

物化性质

• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.22
• 重原子数：
  42.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  129.59
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  N-{8-Bromo-9-[(4aR,6R,7R,7aR)-2,2-di-tert-butyl-7-(tert-butyl-dimethyl-silanyloxy)-tetrahydro-furo[3,2-d][1,3,2]dioxasilin-6-yl]-6-oxo-6,9-dihydro-1H-purin-2-yl}-isobutyramide 在 palladium on activated charcoal 吡啶 、 硫代苯甲酸 、 palladium diacetate 、 lithium hydroxide 、 copper(l) iodide 、 氢气 、 tri-n-butylamine hydrofluoride 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 N-[9-[(2R,3R,4R,5R)-3-(tert-Butyl-dimethyl-silanyloxy)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl]-8-(3-tert-butyldisulfanyl-propyl)-6-oxo-6,9-dihydro-1H-purin-2-yl]-isobutyramide
  参考文献：
  名称：

  Synthesis of guanosine analogs bearing pendant alkylthiol tethers

  摘要：

  Synthesis of three guanosine monomers substituted with alkylthiol chains at either carbon-8 or the 2'-hydroxyI is described. The ready accessibility of these monomers will facilitate the use of disulfide cross-links to study the Folding and dynamics of RNA and will also provide loci for conjugation of reporter groups. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00868-x
• 作为产物：
  描述：

  叔丁基二甲基氯硅烷 以 吡啶 为溶剂， 生成 N-{8-Bromo-9-[(4aR,6R,7R,7aR)-2,2-di-tert-butyl-7-(tert-butyl-dimethyl-silanyloxy)-tetrahydro-furo[3,2-d][1,3,2]dioxasilin-6-yl]-6-oxo-6,9-dihydro-1H-purin-2-yl}-isobutyramide
  参考文献：
  名称：

  Synthesis of guanosine analogs bearing pendant alkylthiol tethers

  摘要：

  Synthesis of three guanosine monomers substituted with alkylthiol chains at either carbon-8 or the 2'-hydroxyI is described. The ready accessibility of these monomers will facilitate the use of disulfide cross-links to study the Folding and dynamics of RNA and will also provide loci for conjugation of reporter groups. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00868-x