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

Systemtic Name: [(E,2R,3S)-2-acetamido-3-oxidanyl-octadec-4-enyl] dihydrogen phosphate Openeye Name: [(E,2R,3S)-2-acetamido-3-hydroxy-octadec-4-enyl] dihydrogen phosphate CAS Name: [(E,2R,3S)-2-acetamido-3-hydroxyoctadec-4-enyl] dihydrogen phosphate IUPAC Name: [(E,2R,3S)-2-acetamido-3-hydroxyoctadec-4-enyl] dihydrogen phosphate Traditional Name: [(E,2R,3S)-2-acetamido-3-hydroxy-octadec-4-enyl] dihydrogen phosphate Formula: C20H40NO6P MolecularWeight: 421.508461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H40NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)19(21-18(2)22)17-27-28(24,25)26/h15-16,19-20,23H,3-14,17H2,1-2H3,(H,21,22)(H2,24,25,26)/b16-15+/t19-,20+/m1/s1