[(E,2S,3R)-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] dimethyl phosphate

Systemtic Name: [(E,2S,3R)-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] dimethyl phosphate Openeye Name: [(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxy-octadec-4-enyl] dimethyl phosphate CAS Name: phosphoric acid [(E,2S,3R)-3-hydroxy-2-(1-oxohexadecylamino)octadec-4-enyl] dimethyl ester IUPAC Name: [(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] dimethyl phosphate Traditional Name: phosphoric acid [(E,2S,3R)-3-hydroxy-2-palmitamido-octadec-4-enyl] dimethyl ester Formula: C36H72NO6P MolecularWeight: 645.933741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(COP(=O)(OC)OC)C(C=CCCCCCCCCCCCCC)O

Isomeric SMILES

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

InChI

InChI=1S/C36H72NO6P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(38)34(33-43-44(40,41-3)42-4)37-36(39)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h29,31,34-35,38H,5-28,30,32-33H2,1-4H3,(H,37,39)/b31-29+/t34-,35+/m0/s1