[(2R)-2-[32-[(2S)-1-azanyl-3-hexadecanoyloxy-propan-2-yl]oxy-32-oxidanylidene-dotriacontanoyl]oxy-3-hexadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2R)-2-[32-[(2S)-1-azanyl-3-hexadecanoyloxy-propan-2-yl]oxy-32-oxidanylidene-dotriacontanoyl]oxy-3-hexadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2R)-2-[32-[(1S)-1-(aminomethyl)-2-hexadecanoyloxy-ethoxy]-32-oxo-dotriacontanoyl]oxy-3-hexadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2R)-2-[32-[(2S)-1-amino-3-(1-oxohexadecoxy)propan-2-yl]oxy-1,32-dioxodotriacontoxy]-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2R)-2-[32-[(2S)-1-amino-3-hexadecanoyloxypropan-2-yl]oxy-32-oxodotriacontanoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2R)-2-[32-[(1S)-1-(aminomethyl)-2-hexadecanoyloxy-ethoxy]-32-keto-dotriacontanoyl]oxy-3-hexadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C75H147N2O12P MolecularWeight: 1299.949641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](CN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C75H147N2O12P/c1-6-8-10-12-14-16-18-36-40-44-48-52-56-60-72(78)84-67-70(66-76)88-74(80)62-58-54-50-46-42-38-34-32-30-28-26-24-22-20-21-23-25-27-29-31-33-35-39-43-47-51-55-59-63-75(81)89-71(69-87-90(82,83)86-65-64-77(3,4)5)68-85-73(79)61-57-53-49-45-41-37-19-17-15-13-11-9-7-2/h70-71H,6-69,76H2,1-5H3/t70-,71+/m0/s1