(4-Hydroxy-2,4-dimethyl-tetrahydro-furan-2-yl)-acetic acid (2R,3S,5R)-3-(tert-butyl-dimethyl-silanyloxy)-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl ester

• 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: (4-Hydroxy-2,4-dimethyl-tetrahydro-furan-2-yl)-acetic acid (2R,3S,5R)-3-(tert-butyl-dimethyl-silanyloxy)-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl ester
• 英文别名: [(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-(4-hydroxy-2,4-dimethyloxolan-2-yl)acetate
• 化学式: C₂₄H₄₀N₂O₈Si
• 分子量: 512.676
• InChiKey: AVKKTQOCAFFDJX-KJYPIDOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.39
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  124
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (2,4-Dimethyl-4-methylsulfanylmethoxy-tetrahydro-furan-2-yl)-acetic acid 在 4-二甲氨基吡啶 、 trityl tetrafluoroborate 、 N,N'-二环己基碳二亚胺 作用下， 以 乙腈 为溶剂， 生成 (4-Hydroxy-2,4-dimethyl-tetrahydro-furan-2-yl)-acetic acid (2R,3S,5R)-3-(tert-butyl-dimethyl-silanyloxy)-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl ester
  参考文献：
  名称：

  Lipophilic bioisosteres of nucleoside triphosphates

  摘要：

  This paper describes the design and synthesis of lipophilic bioisosteres of nucleoside triphosphates as potential inhibitors of HIV reverse transcriptase. The bioisostere is designed to mimic the conformation of the nucleoside triphosphate when complexed to a metal ion such as magnesium. Copyright (C) 1996 Elsevier Science Ltd.

  DOI：

  10.1016/0960-894x(96)00443-x

文献信息

• Lipophilic bioisosteres of nucleoside triphosphates
  作者：Alastair O. Goldring、Ian H. Gilbert、Naheed Mahmood、Jan Balzarini

  DOI：10.1016/0960-894x(96)00443-x

  日期：1996.10

  This paper describes the design and synthesis of lipophilic bioisosteres of nucleoside triphosphates as potential inhibitors of HIV reverse transcriptase. The bioisostere is designed to mimic the conformation of the nucleoside triphosphate when complexed to a metal ion such as magnesium. Copyright (C) 1996 Elsevier Science Ltd.