2-azanylethyl [(E)-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] hydrogen phosphate

Systemtic Name: 2-azanylethyl [(E)-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] hydrogen phosphate Openeye Name: 2-aminoethyl [(E)-2-(hexadecanoylamino)-3-hydroxy-octadec-4-enyl] hydrogen phosphate CAS Name: 2-aminoethyl [(E)-3-hydroxy-2-(1-oxohexadecylamino)octadec-4-enyl] hydrogen phosphate IUPAC Name: 2-aminoethyl [(E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] hydrogen phosphate Traditional Name: 2-aminoethyl [(E)-3-hydroxy-2-palmitamido-octadec-4-enyl] hydrogen phosphate Formula: C36H73N2O6P MolecularWeight: 660.948381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(COP(=O)(O)OCCN)C(/C=C/CCCCCCCCCCCCC)O

InChI

InChI=1S/C36H73N2O6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(39)34(33-44-45(41,42)43-32-31-37)38-36(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,34-35,39H,3-26,28,30-33,37H2,1-2H3,(H,38,40)(H,41,42)/b29-27+