[[(E,2S,3R)-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enoxy]-oxidanyl-phosphoryl]oxymethyl-trimethyl-azanium

Systemtic Name: [[(E,2S,3R)-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enoxy]-oxidanyl-phosphoryl]oxymethyl-trimethyl-azanium Openeye Name: [[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxy-octadec-4-enoxy]-hydroxy-phosphoryl]oxymethyl-trimethyl-ammonium CAS Name: [hydroxy-[(E,2S,3R)-3-hydroxy-2-(1-oxohexadecylamino)octadec-4-enoxy]phosphoryl]oxymethyl-trimethylammonium IUPAC Name: [[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enoxy]-hydroxyphosphoryl]oxymethyl-trimethylazanium Traditional Name: [hydroxy-[(E,2S,3R)-3-hydroxy-2-palmitamido-octadec-4-enoxy]phosphoryl]oxymethyl-trimethyl-ammonium Formula: C38H78N2O6P+ MolecularWeight: 690.009481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(COP(=O)(O)OC[N+](C)(C)C)C(C=CCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O

InChI

InChI=1S/C38H77N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37(41)36(34-45-47(43,44)46-35-40(3,4)5)39-38(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,36-37,41H,6-29,31,33-35H2,1-5H3,(H-,39,42,43,44)/p+1/b32-30+/t36-,37+/m0/s1