乙基-辅酶A
[CAS# 70019-68-0]

基本信息

• 产品名称: 乙基-辅酶A
• 英文名: Ethyl-Coenzyme A
• 别名: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl [[(3R)-4-[[3-(2-Ethylsulfanylethylamino)-3-Oxo-Propyl]Amino]-3-Hydroxy-2,2-Dimethyl-4-Oxo-Butoxy]-Hydroxy-Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-3-Phosphonooxy-2-Tetrahydrofuranyl]Methyl [[(3R)-4-[[3-[2-(Ethylthio)Ethylamino]-3-Oxopropyl]Amino]-3-Hydroxy-2,2-Dimethyl-4-Oxobutoxy]-Hydroxyphosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl [[(3R)-4-[[3-[2-(Ethylthio)Ethylamino]-3-Keto-Propyl]Amino]-3-Hydroxy-4-Keto-2,2-Dimethyl-Butoxy]-Hydroxy-Phosphoryl] Hydrogen Phosphate
• 分子式: C₂₃H₄₀N₇O₁₆P₃S
• 分子量: 795.59
• CAS 登录号: 70019-68-0
• 分子行输入简码 SMILES: [C@H]1(O[C@@H]([C@@H](O[P](=O)(O)O)[C@H]1O)CO[P](O[P](OCC([C@@H](O)C(=O)NCCC(=O)NCCSCC)(C)C)(=O)O)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• 国际化学标识码 InChI: 1S/C23H40N7O16P3S/c1-4-50-8-7-25-14(31)5-6-26-21(34)18(33)23(2,3)10-43-49(40,41)46-48(38,39)42-9-13-17(45-47(35,36)37)16(32)22(44-13)30-12-29-15-19(24)27-11-28-20(15)30/h11-13,16-18,22,32-33H,4-10H2,1-3H3,(H,25,31)(H,26,34)(H,38,39)(H,40,41)(H2,24,27,28)(H2,35,36,37)/t13-,16-,17-,18+,22-/m1/s1
• 国际化学标识检索码 InChIKey: YGTAAWZKDDQUQN-ZSJPKINUSA-N

物理化学性质

• 密度: 1.858g/cm³ （计算值）