[(E,2S,3R)-2-[[(E)-12-Anthracen-9-Yldodec-11-Enoyl]Amino]-3-Hydroxyoctadec-4-Enyl] 2-Trimethylazaniumylethyl Phosphate
[CAS# 77840-25-6]

Identification

• Name: [(E,2S,3R)-2-[[(E)-12-Anthracen-9-Yldodec-11-Enoyl]Amino]-3-Hydroxyoctadec-4-Enyl] 2-Trimethylazaniumylethyl Phosphate
• Synonyms: [(E,2S,3R)-2-[[(E)-12-(9-Anthryl)Dodec-11-Enoyl]Amino]-3-Hydroxy-Octadec-4-Enyl] 2-Trimethylammonioethyl Phosphate; [(E,2S,3R)-2-[[(E)-12-(9-Anthryl)-1-Oxododec-11-Enyl]Amino]-3-Hydroxyoctadec-4-Enyl] 2-Trimethylammonioethyl Phosphate; [(E,2S,3R)-2-[[(E)-12-Anthracen-9-Yldodec-11-Enoyl]Amino]-3-Hydroxy-Octadec-4-Enyl] 2-Trimethylazaniumylethyl Phosphate
• Molecular Formula: C₄₉H₇₇N₂O₆P
• Molecular Weight: 821.13
• CAS Registry Number: 77840-25-6
• SMILES: [C@@H](NC(=O)CCCCCCCCC/C=C/C1=C3C(=CC2=C1C=CC=C2)C=CC=C3)([C@H](O)\C=C\CCCCCCCCCCCCC)CO[P](OCC[N+](C)(C)C)([O-])=O
• InChI: 1S/C49H77N2O6P/c1-5-6-7-8-9-10-11-12-13-16-19-22-25-36-48(52)47(41-57-58(54,55)56-39-38-51(2,3)4)50-49(53)37-26-23-20-17-14-15-18-21-24-35-46-44-33-29-27-31-42(44)40-43-32-28-30-34-45(43)46/h24-25,27-36,40,47-48,52H,5-23,26,37-39,41H2,1-4H3,(H-,50,53,54,55)/b35-24+,36-25+/t47-,48+/m0/s1
• InChIKey: ITWJXTYRJNIDBW-SVZIEULHSA-N