[(E,2S,3R)-3-Hydroxy-2-[[(Z)-3-Pyren-1-Ylprop-2-Enoyl]Amino]Octadec-4-Enyl] 2-Trimethylazaniumylethyl Phosphate
[CAS 133733-42-3]

Identification

• Name: [(E,2S,3R)-3-Hydroxy-2-[[(Z)-3-Pyren-1-Ylprop-2-Enoyl]Amino]Octadec-4-Enyl] 2-Trimethylazaniumylethyl Phosphate
• Synonyms: [(E,2S,3R)-3-Hydroxy-2-[[(Z)-3-Pyren-1-Ylprop-2-Enoyl]Amino]Octadec-4-Enyl] 2-Trimethylammonioethyl Phosphate; [(E,2S,3R)-3-Hydroxy-2-[[(Z)-1-Oxo-3-(1-Pyrenyl)Prop-2-Enyl]Amino]Octadec-4-Enyl] 2-Trimethylammonioethyl Phosphate; [(E,2S,3R)-3-Hydroxy-2-[[(Z)-3-Pyren-1-Ylacryloyl]Amino]Octadec-4-Enyl] 2-Trimethylammonioethyl Phosphate
• Molecular Formula: C₄₂H₅₉N₂O₆P
• Molecular Weight: 718.91
• CAS Registry Number: 133733-42-3
• SMILES: [C@@H](NC(=O)\C=C/C3=C4C2=C1C(=CC=CC1=CC=C2C=C3)C=C4)([C@H](O)\C=C\CCCCCCCCCCCCC)CO[P](OCC[N+](C)(C)C)([O-])=O
• InChI: 1S/C42H59N2O6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-39(45)38(32-50-51(47,48)49-31-30-44(2,3)4)43-40(46)29-27-33-22-23-36-25-24-34-19-18-20-35-26-28-37(33)42(36)41(34)35/h17-29,38-39,45H,5-16,30-32H2,1-4H3,(H-,43,46,47,48)/b21-17+,29-27-/t38-,39+/m0/s1
• InChIKey: XWSHWHRTYRBTQU-GIIXJKFXSA-N