S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] oct-2-enethioate

• 常用名: S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] oct-2-enethioate
• 英文名: S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] oct-2-enethioate
• CAS号: 10018-94-7
• 分子量: 891.71400
• 密度: N/A
• 沸点: N/A
• 分子式: C₂₉H₄₈N₇O₁₇P₃S
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] oct-2-enethioate

物理化学性质

• 分子式: C₂₉H₄₈N₇O₁₇P₃S
• 分子量: 891.71400
• 精确质量: 891.20400
• PSA: 418.36000
• LogP: 2.16420
• InChIKey: CPSDNAXXKWVYIY-FFJUWABQSA-N
• SMILES: CCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O

英文别名

• (2E)-2-octenoyl-CoA
• 2E-octenoyl-CoA
• trans-2-octenoylcoenzyme A
• 2,3-trans-Octenoyl coenzyme A
• Coenzyme A,S-2-octenoate,(E)-(8CI)
• Coenzyme A,S-(2E)-2-octenoate
• Oct-trans-2-enoyl coenzyme A
• Oct-2-trans-enoyl-CoA
• trans-2-octenoyl-CoA
• trans-D2,3-Octenoyl-CoA