azanium [(E,2S,3R)-2-(dodecanoylamino)-3-oxidanyl-octadec-4-enyl] hydrogen phosphate

Systemtic Name: azanium [(E,2S,3R)-2-(dodecanoylamino)-3-oxidanyl-octadec-4-enyl] hydrogen phosphate Openeye Name: ammonium [(E,2S,3R)-2-(dodecanoylamino)-3-hydroxy-octadec-4-enyl] hydrogen phosphate CAS Name: ammonium [(E,2S,3R)-3-hydroxy-2-(1-oxododecylamino)octadec-4-enyl] hydrogen phosphate IUPAC Name: azanium [(E,2S,3R)-2-(dodecanoylamino)-3-hydroxyoctadec-4-enyl] hydrogen phosphate Traditional Name: ammonium [(E,2S,3R)-3-hydroxy-2-(lauroylamino)octadec-4-enyl] hydrogen phosphate Formula: C30H63N2O6P MolecularWeight: 578.804781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COP(=O)(O)[O-])NC(=O)CCCCCCCCCCC)O.[NH4+]

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)[O-])NC(=O)CCCCCCCCCCC)O.[NH4+]

InChI

InChI=1S/C30H60NO6P.H3N/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29(32)28(27-37-38(34,35)36)31-30(33)26-24-22-20-17-12-10-8-6-4-2;/h23,25,28-29,32H,3-22,24,26-27H2,1-2H3,(H,31,33)(H2,34,35,36);1H3/b25-23+;/t28-,29+;/m0./s1