3'-O-(5-氟-2,4-二硝基苯基)三磷酸腺苷醚
[CAS# 117414-71-8]

基本信息

• 产品名称: 3'-O-(5-氟-2,4-二硝基苯基)三磷酸腺苷醚
• 英文名: 3'-O-(5-Fluoro-2,4-Dinitrophenyl)Atp Ether
• 别名: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3-(5-Fluoro-2,4-Dinitro-Phenoxy)-4-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3-(5-Fluoro-2,4-Dinitrophenoxy)-4-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3-(5-Fluoro-2,4-Dinitro-Phenoxy)-4-Hydroxy-Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• 分子式: C₁₆H₁₇FN₇O₁₇P₃
• 分子量: 691.27
• CAS 登录号: 117414-71-8
• 分子行输入简码 SMILES: [C@H]2(O[C@@H]([C@@H](OC1=CC(=C([N+]([O-])=O)C=C1[N+]([O-])=O)F)[C@H]2O)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)[N]3C4=C(N=C3)C(=NC=N4)N
• 国际化学标识码 InChI: 1S/C16H17FN7O17P3/c17-6-1-9(8(24(28)29)2-7(6)23(26)27)38-13-10(3-37-43(33,34)41-44(35,36)40-42(30,31)32)39-16(12(13)25)22-5-21-11-14(18)19-4-20-15(11)22/h1-2,4-5,10,12-13,16,25H,3H2,(H,33,34)(H,35,36)(H2,18,19,20)(H2,30,31,32)/t10-,12-,13-,16-/m1/s1
• 国际化学标识检索码 InChIKey: XNUBAOJRQSJYRM-XNIJJKJLSA-N

物理化学性质

• 密度: 2.447g/cm³ （计算值）
• 沸点: 1071.647°C at 760 mmHg （计算值）
• 闪点: 601.91°C （计算值）