5-(十四烷氧基)-2-糠酰-辅酶A
[CAS# 71865-60-6]

基本信息

• 产品名称: 5-(十四烷氧基)-2-糠酰-辅酶A
• 英文名: 5-(Tetradecyloxy)-2-Furoyl-Coenzyme A
• 别名: S-[2-[3-[[4-[[[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] 5-Tetradecoxyfuran-2-Carbothioate; 5-Tetradecoxy-2-Furancarbothioic Acid S-[2-[[3-[[4-[[[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; 5-Myristyloxyfuran-2-Carbothioic Acid S-[2-[3-[[4-[[[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: C₄₀H₆₆N₇O₁₉P₃S
• 分子量: 1073.98
• CAS 登录号: 71865-60-6
• 分子行输入简码 SMILES: C1=C(OC(=C1)OCCCCCCCCCCCCCC)C(=O)SCCNC(CCNC(C(C(CO[P](O[P](OCC2C(O[P](O)(O)=O)C(O)C(O2)[N]4C3=C(C(=NC=N3)N)N=C4)(=O)O)(=O)O)(C)C)O)=O)=O
• 国际化学标识码 InChI: 1S/C40H66N7O19P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-21-60-30-17-16-27(63-30)39(52)70-22-20-42-29(48)18-19-43-37(51)34(50)40(2,3)24-62-69(58,59)66-68(56,57)61-23-28-33(65-67(53,54)55)32(49)38(64-28)47-26-46-31-35(41)44-25-45-36(31)47/h16-17,25-26,28,32-34,38,49-50H,4-15,18-24H2,1-3H3,(H,42,48)(H,43,51)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)
• 国际化学标识检索码 InChIKey: NXAHLFOPZQJPNH-UHFFFAOYSA-N

物理化学性质

• 密度: 1.576g/cm³ （计算值）