[(2R,3S,4R,5R,6R)-3-hydroxy-2-(hydroxymethyl)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-[[(3R)-3-tetradecanoyloxytetradecanoyl]amino]oxan-4-yl] (3R)-3-tetradecanoyloxytetradecanoate | 130748-60-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(2R,3S,4R,5R,6R)-3-hydroxy-2-(hydroxymethyl)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-[[(3R)-3-tetradecanoyloxytetradecanoyl]amino]oxan-4-yl] (3R)-3-tetradecanoyloxytetradecanoate
• CAS: 130748-60-6
• 化学式: C₆₇H₁₂₁N₃O₁₂
• 分子量: 1160.71
• InChiKey: DTKPJEVHCFKPOB-JXIPNIQPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.34
• 重原子数：
  82.0
• 可旋转键数：
  54.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  212.55
• 氢给体数：
  4.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  [(2R,3S,4R,5R,6R)-3-hydroxy-2-(hydroxymethyl)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-[[(3R)-3-tetradecanoyloxytetradecanoyl]amino]oxan-4-yl] (3R)-3-tetradecanoyloxytetradecanoate 生成 [(2R,3R,4R,5S,6R)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-sulfooxy-6-(sulfooxymethyl)-3-[[(3R)-3-tetradecanoyloxytetradecanoyl]amino]oxan-4-yl] (3R)-3-tetradecanoyloxytetradecanoate
  参考文献：
  名称：

  IDEGAMI, KEISUKE;IKEDA, KIYOSHI;ACHIWA, KAZUO, CHEM. AND PHARM. BULL., 38,(1990) N, C. 1766-1768

  摘要：

  DOI：
• 作为产物：
  描述：

  [(4aR,6R,7R,8R,8aS)-2,2-dimethyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-7-[[(3R)-3-tetradecanoyloxytetradecanoyl]amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] (3R)-3-tetradecanoyloxytetradecanoate 在 溶剂黄146 作用下， 反应 1.0h， 以39%的产率得到[(2R,3S,4R,5R,6R)-3-hydroxy-2-(hydroxymethyl)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-[[(3R)-3-tetradecanoyloxytetradecanoyl]amino]oxan-4-yl] (3R)-3-tetradecanoyloxytetradecanoate
  参考文献：
  名称：

  Synthesis of biologically active derivatives of D-glucosamine-4-phosphate and 1-thyminyl-D-glucosamine-4,6-disulfate.

  摘要：

  合成了新的 1-硫氨酰-D-葡糖胺-4-磷酸酯和 1-硫氨酰-D-葡糖胺-4，6-二硫酸盐衍生物。1-thyminyl-D-glucosamine-4, 6-disulfate 衍生物对 HIV 具有抗病毒活性。

  DOI：

  10.1248/cpb.38.1766