4-(4'-Chlorobenzyloxy)Benzoyl-Coenzyme A
[CAS# 93604-15-0]

Identification

• Name: 4-(4'-Chlorobenzyloxy)Benzoyl-Coenzyme A
• Synonyms: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-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] 4-[(4-Chlorophenyl)Methoxy]Benzenecarbo
• Molecular Formula: C₃₅H₄₅ClN₇O₁₈P₃S
• Molecular Weight: 1012.21
• CAS Registry Number: 93604-15-0
• SMILES: [C@H]1(O[C@@H]([C@@H](O[P](=O)(O)O)[C@H]1O)CO[P](O[P](OCC([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C3=CC=C(OCC2=CC=C(Cl)C=C2)C=C3)(C)C)(=O)O)(=O)O)[N]4C5=C(N=C4)C(=NC=N5)N
• InChI: 1S/C35H45ClN7O18P3S/c1-35(2,29(46)32(47)39-12-11-25(44)38-13-14-65-34(48)21-5-9-23(10-6-21)56-15-20-3-7-22(36)8-4-20)17-58-64(54,55)61-63(52,53)57-16-24-28(60-62(49,50)51)27(45)33(59-24)43-19-42-26-30(37)40-18-41-31(26)43/h3-10,18-19,24,27-29,33,45-46H,11
• InChIKey: IHFHTPGRCROVMT-IJNDEUHLSA-N

Properties

• Density: 1.755g/cm³ (Cal.)