trimethyl-[2-[[(2R,3R,4S,5R,6R)-6-[(E,2S,3R)-16-methyl-3-oxidanyl-2-(tricosanoylamino)heptadec-4-enoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy-oxidanyl-phosphoryl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[[(2R,3R,4S,5R,6R)-6-[(E,2S,3R)-16-methyl-3-oxidanyl-2-(tricosanoylamino)heptadec-4-enoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(E,2S,3R)-3-hydroxy-16-methyl-2-(tricosanoylamino)heptadec-4-enoxy]tetrahydropyran-2-yl]methoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(E,2S,3R)-3-hydroxy-16-methyl-2-(1-oxotricosylamino)heptadec-4-enoxy]-2-oxanyl]methoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(E,2S,3R)-3-hydroxy-16-methyl-2-(tricosanoylamino)heptadec-4-enoxy]oxan-2-yl]methoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(E,2S,3R)-3-hydroxy-16-methyl-2-(tricosanoylamino)heptadec-4-enoxy]tetrahydropyran-2-yl]methoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C52H104N2O11P+ MolecularWeight: 964.362721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)COP(=O)(O)OCC[N+](C)(C)C)O)O)O)C(C=CCCCCCCCCCCC(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COP(=O)(O)OCC[N+](C)(C)C)O)O)O)[C@@H](/C=C/CCCCCCCCCCC(C)C)O

InChI

InChI=1S/C52H103N2O11P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-30-33-36-39-48(56)53-45(46(55)38-35-32-29-26-24-23-25-28-31-34-37-44(2)3)42-62-52-51(59)50(58)49(57)47(65-52)43-64-66(60,61)63-41-40-54(4,5)6/h35,38,44-47,49-52,55,57-59H,7-34,36-37,39-43H2,1-6H3,(H-,53,56,60,61)/p+1/b38-35+/t45-,46+,47+,49-,50-,51+,52+/m0/s1