(E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl (methylsulfonyl)amino]pyrimidin-5-yl]-(3R,5S)-3,5-dihydroxyhept-6-enoic acid tris(hydroxymethyl)methylammonium salt | 355806-03-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl (methylsulfonyl)amino]pyrimidin-5-yl]-(3R,5S)-3,5-dihydroxyhept-6-enoic acid tris(hydroxymethyl)methylammonium salt
• 英文别名: tris(hydroxymethyl)methylammonium salt of (E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]-(3R,5S)-3,5-dihydroxyhept-6-enoic acid；(E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl (methylsulfonyl)amino]pyrimidin-5-yl]-(3R,5S)-3,5-dihydroxyhept-6-enoic acid tris(hydroxymethyl)methylammonium salt Form 3；(E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl (methylsulfonyl)amino]pyrimidin-5-yl]-(3R,5S)-3,5-dihydroxyhept-6-enoic acid tris(hydroxymethyl)methylammonium salt Form 2；(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate;tris(hydroxymethyl)-methylazanium
• CAS: 355806-03-0
• 化学式: C₄H₁₂NO₃*C₂₂H₂₇FN₃O₆S
• 分子量: 602.681
• InChiKey: YYEWYYSTAYWBES-DHMAKVBVSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.65
• 重原子数：
  41
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  213
• 氢给体数：
  5
• 氢受体数：
  13