1-[(2R,3R,4R,5R)-3,4-二羟基-5-(羟基甲基)四氢呋喃-2-基]-1,2,4-三唑-3-甲酰胺
[CAS# 66510-90-5]

基本信息

• 产品名称: 1-[(2R,3R,4R,5R)-3,4-二羟基-5-(羟基甲基)四氢呋喃-2-基]-1,2,4-三唑-3-甲酰胺
• 英文名: 1-[(2R,3R,4R,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-1,2,4-Triazole-3-Carboxamide
• 别名: 1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-1,2,4-Triazole-3-Carboxamide; 1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-1,2,4-Triazole-3-Carboxamide; 1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-1,2,4-Triazole-3-Carboxamide
• 分子式: C₈H₁₂N₄O₅
• 分子量: 244.21
• CAS 登录号: 66510-90-5
• 分子行输入简码 SMILES: [C@@H]2([N]1N=C(C(N)=O)N=C1)O[C@H](CO)[C@H]([C@H]2O)O
• 国际化学标识码 InChI: 1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1
• 国际化学标识检索码 InChIKey: IWUCXVSUMQZMFG-AFCXAGJDSA-N

物理化学性质

• 密度: 2.1±0.1g/cm³ （计算值）
• 沸点: 639.8±65.0°C at 760 mmHg （计算值）
• 闪点: 340.7±34.3°C （计算值）
• 溶解度: Soluble to 100 mM in water and to 100 mM in DMSO

参考文献

• (1): Anna Leisvuori, Yuichiro Aiba, Tuomas Lönnberg, Päivi Poijärvi-Virta, Laurence Blatt, Leo Beigelman and Harri Lönnberg. Chemical and enzymatic stability of amino acid derived phosphoramidates of antiviral nucleoside 5′-monophosphates bearing a biodegradable protecting group, Org. Biomol. Chem., 2010, 8, 2131.