S-[2-[3-[[(2R)-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] 2-(4-methylphenyl)ethanethioate

• 常用名: S-[2-[3-[[(2R)-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] 2-(4-methylphenyl)ethanethioate
• 英文名: S-[2-[3-[[(2R)-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] 2-(4-methylphenyl)ethanethioate
• CAS号: 124924-92-1
• 分子量: 899.69300
• 密度: 1.76g/cm3
• 沸点: N/A
• 分子式: C₃₀H₄₄N₇O₁₇P₃S
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: S-[2-[3-[[(2R)-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] 2-(4-methylphenyl)ethanethioate

物理化学性质

• 密度: 1.76g/cm3
• 分子式: C₃₀H₄₄N₇O₁₇P₃S
• 分子量: 899.69300
• 精确质量: 899.17300
• PSA: 425.34000
• LogP: 2.47760
• InChIKey: GOWLCGDSMBSDPX-FUEUKBNZSA-N
• SMILES: Cc1ccc(CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2OP(=O)(O)O)cc1
• 折射率: 1.702

英文别名

• p-Tolylacetyl-coenzyme A
• 4-Tolylacetyl-coa
• Coenzyme A,4-tolylacetyl
• Coenzyme A,S-(4-methylbenzeneacetate)
• Coenzyme A,S-(4-methylbenzeneacetate) (9CI)
• 4-Tolylacetyl-coenzyme A