1-(17,18-Dithiatetratriacontandioyl)-Bis(2-Hexadecanoylglycero-3-Phosphocholine)
[CAS# 115868-53-6]

Identification

• Name: 1-(17,18-Dithiatetratriacontandioyl)-Bis(2-Hexadecanoylglycero-3-Phosphocholine)
• Synonyms: [(2R)-2-Hexadecanoyloxy-3-[16-[16-[(2R)-2-Hexadecanoyloxy-3-(Oxido-(2-Trimethylammonioethoxy)Phosphoryl)Oxy-Propoxy]-16-Oxo-Hexadecyl]Disulfanylhexadecanoyloxy]Propyl] 2-Trimethylammonioethyl Phosphate; [(2R)-3-[16-[16-[(2R)-3-(Oxido-(2-Trimethylammonioethoxy)Phosphoryl)Oxy-2-(1-Oxohexadecoxy)Propoxy]-16-Oxohexadecyl]Disulfanyl-1-Oxohexadecoxy]-2-(1-Oxohexadecoxy)Propyl] 2-Trimethylammonioethyl Phosphate; [(2R)-2-Hexadecanoyloxy-3-[16-[16-[(2R)-2-Hexadecanoyloxy-3-(Oxido-(2-Trimethylammonioethoxy)Phosphoryl)Oxy-Propoxy]-16-Keto-Hexadecyl]Disulfanylhexadecanoyloxy]Propyl] 2-Trimethylammonioethyl Phosphate
• Molecular Formula: C₈₀H₁₅₈N₂O₁₆P₂S₂
• Molecular Weight: 1530.20
• CAS Registry Number: 115868-53-6
• SMILES: [C@H](OC(=O)CCCCCCCCCCCCCCC)(CO[P](OCC[N+](C)(C)C)([O-])=O)COC(=O)CCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCC(OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)CO[P](OCC[N+](C)(C)C)([O-])=O)=O
• InChI: 1S/C80H158N2O16P2S2/c1-9-11-13-15-17-19-21-25-33-39-45-51-57-63-79(85)97-75(73-95-99(87,88)93-67-65-81(3,4)5)71-91-77(83)61-55-49-43-37-31-27-23-29-35-41-47-53-59-69-101-102-70-60-54-48-42-36-30-24-28-32-38-44-50-56-62-78(84)92-72-76(74-96-100(89,90)94-68-66-82(6,7)8)98-80(86)64-58-52-46-40-34-26-22-20-18-16-14-12-10-2/h75-76H,9-74H2,1-8H3/t75-,76-/m1/s1
• InChIKey: YQYRYXKVXWPXCP-UVHVAMGRSA-N