Pyrenedodecanoyl-Coenzyme A
[CAS# 93255-33-5]

Identification

• Name: Pyrenedodecanoyl-Coenzyme A
• Synonyms: S-[2-[3-[[4-[[[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] 12-Pyren-1-Yldodecanethioate; 12-(1-Pyrenyl)Dodecanethioic
• Molecular Formula: C₄₉H₆₆N₇O₁₇P₃S
• Molecular Weight: 1150.08
• CAS Registry Number: 93255-33-5
• SMILES: C1=NC7=C([N]1C6C(C(O[P](=O)(O)O)C(CO[P](=O)(O[P](=O)(OCC(C(O)C(NCCC(NCCSC(CCCCCCCCCCCC2=C3C=CC4=CC=CC5=CC=C(C=C2)C3=C45)=O)=O)=O)(C)C)O)O)O6)O)N=CN=C7N
• InChI: 1S/C49H66N7O17P3S/c1-49(2,28-70-76(67,68)73-75(65,66)69-27-36-43(72-74(62,63)64)42(59)48(71-36)56-30-55-41-45(50)53-29-54-46(41)56)44(60)47(61)52-24-23-37(57)51-25-26-77-38(58)16-11-9-7-5-3-4-6-8-10-13-31-17-18-34-20-19-32-14-12-15-33-21-22-35(31)40(34)39
• InChIKey: BPNVONKYJJXBQT-UHFFFAOYSA-N

Properties

• Density: 1.58g/cm³ (Cal.)