(2'-5')-3'-脱氧腺苷三磷酸酯-3'-脱氧腺苷单磷酸酯
[CAS# 79919-77-0]

基本信息

• 产品名称: (2'-5')-3'-脱氧腺苷三磷酸酯-3'-脱氧腺苷单磷酸酯
• 英文名: (2'-5')-3'-Deoxyadenosine Triphosphate-3'-Deoxyadenosine Monophosphate
• 别名: [(2R,5S)-2-(6-Aminopurin-9-Yl)-5-[[Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] [(2S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate; [(2R,5S)-2-(6-Amino-9-Purinyl)-5-[[Hydroxy-(Hydroxy-Phosphonooxyphosphoryl)Oxyphosphoryl]Oxymethyl]-3-Tetrahydrofuranyl] [(2S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; [(2R,5S)-2-(6-Aminopurin-9-Yl)-5-[[Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl]Oxymethyl]Oxolan-3-Yl] [(2S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-Oxolan-2-Yl]Methyl Hydrogen Phosphate
• 分子式: C₂₀H₂₈N₁₀O₁₇P₄
• 分子量: 804.39
• CAS 登录号: 79919-77-0
• 分子行输入简码 SMILES: [C@H]1(O[C@@H](CC1O[P](OC[C@H]4O[C@@H]([N]2C3=C(N=C2)C(=NC=N3)N)[C@H](O)C4)(=O)O)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)[N]5C6=C(N=C5)C(=NC=N6)N
• 国际化学标识码 InChI: 1S/C20H28N10O17P4/c21-15-13-17(25-5-23-15)29(7-27-13)19-11(31)1-9(43-19)3-41-49(35,36)45-12-2-10(4-42-50(37,38)47-51(39,40)46-48(32,33)34)44-20(12)30-8-28-14-16(22)24-6-26-18(14)30/h5-12,19-20,31H,1-4H2,(H,35,36)(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)(H2,32,33,34)/t9-,10-,11+,12?,19+,20+/m0/s1
• 国际化学标识检索码 InChIKey: CWQYUTOZJAQODW-JVOFDEDVSA-N

物理化学性质

• 密度: 2.472g/cm³ （计算值）
• 沸点: 1199.422°C at 760 mmHg （计算值）
• 闪点: 679.186°C （计算值）