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

Systemtic Name: [(E,2S,3R)-2-(dodecanoylamino)-3-oxidanyl-octadec-4-enyl] dihydrogen phosphate Openeye Name: [(E,2S,3R)-2-(dodecanoylamino)-3-hydroxy-octadec-4-enyl] dihydrogen phosphate CAS Name: [(E,2S,3R)-3-hydroxy-2-(1-oxododecylamino)octadec-4-enyl] dihydrogen phosphate IUPAC Name: [(E,2S,3R)-2-(dodecanoylamino)-3-hydroxyoctadec-4-enyl] dihydrogen phosphate Traditional Name: [(E,2S,3R)-3-hydroxy-2-(lauroylamino)octadec-4-enyl] dihydrogen phosphate Formula: C30H60NO6P MolecularWeight: 561.774261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)NC(=O)CCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCC)O

InChI

InChI=1S/C30H60NO6P/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)/b25-23+/t28-,29+/m0/s1