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] (2S)-2-(4-tert-butylphenyl)propanethioate

• 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] (2S)-2-(4-tert-butylphenyl)propanethioate
• 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] (2S)-2-(4-tert-butylphenyl)propanethioate
• CAS号: 135027-64-4
• 分子量: 955.80000
• 密度: 1.66g/cm3
• 沸点: N/A
• 分子式: C₃₄H₅₂N₇O₁₇P₃S
• 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] (2S)-2-(4-tert-butylphenyl)propanethioate

物理化学性质

• 密度: 1.66g/cm3
• 分子式: C₃₄H₅₂N₇O₁₇P₃S
• 分子量: 955.80000
• 精确质量: 955.23500
• PSA: 425.34000
• LogP: 4.02770
• InChIKey: AUWPNTKLVZJJLA-FTEDYNDWSA-N
• SMILES: CC(C(=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)c1ccc(C(C)(C)C)cc1
• 折射率: 1.672

英文别名

• Ibuprofenyl-coa
• Coenzyme A,ibuprofenyl
• Ibuprofenyl-coenzyme A
• (S)-ibuprofenoyl CoA
• 2-(4-Isobutylphenyl)propionyl-coa