P(1)-(腺苷-5')-P(5)-(胸苷-5')-五磷酸酯
[CAS# 13457-68-6]

基本信息

• 产品名称: P(1)-(腺苷-5')-P(5)-(胸苷-5')-五磷酸酯
• 英文名: P(1)-(Adenosine-5')-P(5)-(Thymidine-5')-Pentaphosphate
• 别名: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [Hydroxy-[Hydroxy-[Hydroxy-[[(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methoxy]Phosphoryl]Oxy-Phosphoryl]Oxy-Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [Hydroxy-[Hydroxy-[Hydroxy-[[(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-2-Tetrahydrofuranyl]Methoxy]Phosphoryl]Oxyphosphoryl]Oxyphosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[[[(2R,3S,5R)-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl] Hydrogen Phosphate
• 分子式: C₂₀H₂₉N₇O₂₀P₄
• 分子量: 811.38
• CAS 登录号: 13457-68-6
• 分子行输入简码 SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[P](O[P](OC[C@H]3O[C@@H](N2C(=O)NC(=O)C(=C2)C)C[C@@H]3O)(=O)O)(=O)O)(=O)O)(=O)O)[N]4C5=C(N=C4)C(=NC=N5)N
• 国际化学标识码 InChI: 1S/C20H29N7O20P4/c1-8-3-26(20(32)25-18(8)31)12-2-9(28)10(43-12)4-41-48(33,34)45-50(37,38)47-51(39,40)46-49(35,36)42-5-11-14(29)15(30)19(44-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28-30H,2,4-5H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H2,21,22,23)(H,25,31,32)/t9-,10+,11+,12+,14+,15+,19+/m0/s1
• 国际化学标识检索码 InChIKey: WLGHSSFVEUABFP-SLFMBYJQSA-N

物理化学性质

• 密度: 2.396g/cm³ （计算值）