辅酶 A S-(2-亚甲基环丙烷乙酸酯)
[CAS# 56898-43-2]

基本信息

• 产品名称: 辅酶 A S-(2-亚甲基环丙烷乙酸酯)
• 英文名: Coenzyme A S-(2-methylenecyclopropaneacetate)
• 别名: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethyl] 2-(2-Methylenecyclopropyl)Ethanethioate; 2-(2-Methylenecyclopropyl)Ethanethioic Acid S-[2-[[3-[[(2R)-4-[[[(2R,3S,4R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-3-Phosphonooxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-1-Oxobutyl]Amino]-1-Oxopropyl]Amino]Ethyl] Ester; 2-(2-Methylenecyclopropyl)Ethanethioic Acid S-[2-[3-[[(2R)-4-[[[(2R,3S,4R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethyl] Ester
• 分子式: C₂₇H₄₂N₇O₁₇P₃S
• 分子量: 861.65
• CAS 登录号: 56898-43-2
• 分子行输入简码 SMILES: [N]3(C1O[C@@H]([C@@H](O[P](=O)(O)O)[C@H]1O)CO[P](O[P](OCC([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC2C(C2)=C)(C)C)(=O)O)(=O)O)C4=C(N=C3)C(=NC=N4)N
• 国际化学标识码 InChI: 1S/C27H42N7O17P3S/c1-14-8-15(14)9-18(36)55-7-6-29-17(35)4-5-30-25(39)22(38)27(2,3)11-48-54(45,46)51-53(43,44)47-10-16-21(50-52(40,41)42)20(37)26(49-16)34-13-33-19-23(28)31-12-32-24(19)34/h12-13,15-16,20-22,26,37-38H,1,4-11H2,2-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t15?,16-,20-,21-,22+,26?/m1/s1
• 国际化学标识检索码 InChIKey: LRZLYYOBCYKACZ-YVOTYHKYSA-N

物理化学性质

• 密度: 1.87g/cm³ （计算值）