2-[[(2R)-2-[(2R,3R,4R,5S,6R)-3-[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-octadecoxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2R)-2-[(2R,3R,4R,5S,6R)-3-[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-octadecoxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2R)-2-[(2R,3R,4R,5S,6R)-3-(3,4-dimethyl-2,5-dioxo-pyrrol-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-octadecoxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(2R)-2-[[(2R,3R,4R,5S,6R)-3-(3,4-dimethyl-2,5-dioxo-1-pyrrolyl)-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-octadecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2R)-2-[(2R,3R,4R,5S,6R)-3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-octadecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2R)-2-[(2R,3R,4R,5S,6R)-3-(2,5-diketo-3,4-dimethyl-3-pyrrolin-1-yl)-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3-stearyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C38H72N2O12P+ MolecularWeight: 779.958241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OC1C(C(C(C(O1)CO)O)O)N2C(=O)C(=C(C2=O)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)N2C(=O)C(=C(C2=O)C)C

InChI

InChI=1S/C38H71N2O12P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-48-27-31(28-50-53(46,47)49-25-23-40(4,5)6)51-38-33(35(43)34(42)32(26-41)52-38)39-36(44)29(2)30(3)37(39)45/h31-35,38,41-43H,7-28H2,1-6H3/p+1/t31-,32-,33-,34-,35-,38-/m1/s1