| Product Name | ibuprofenyl-coenzyme A |
| CAS No. | 135027-64-4 |
| Synonyms | Ibuprofenyl-coenzyme A; 2-(4-Isobutylphenyl)propionyl-coa; Coenzyme A, ibuprofenyl-; Ibuprofenyl-coa; Coenzyme A, S-(alpha-methyl-4-(2-methylpropyl)benzenacetate), (S)-; S-{(9R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (2S)-2-(4-tert-butylphenyl)propanethioate (non-preferred name) |
| InChI | InChI=1/C34H52N7O17P3S/c1-19(20-7-9-21(10-8-20)33(2,3)4)32(46)62-14-13-36-23(42)11-12-37-30(45)27(44)34(5,6)16-55-61(52,53)58-60(50,51)54-15-22-26(57-59(47,48)49)25(43)31(56-22)41-18-40-24-28(35)38-17-39-29(24)41/h7-10,17-19,22,25-27,31,43-44H,11-16H2,1-6H3,(H,36,42)(H,37,45)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/t19-,22+,25+,26+,27-,31+/m0/s1 |
| Molecular Formula | C34H52N7O17P3S |
| Molecular Weight | 955.7997 |
| Density | 1.66g/cm3 |
| Refractive index | 1.672 |
135027-64-4 ibuprofenyl-coenzyme a
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