16-[2-[2,3-di(hexadecanoyloxy)propoxy-oxidanyl-phosphoryl]oxyethylamino]hexadecanoic acid

Systemtic Name: 16-[2-[2,3-di(hexadecanoyloxy)propoxy-oxidanyl-phosphoryl]oxyethylamino]hexadecanoic acid Openeye Name: 16-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethylamino]hexadecanoic acid CAS Name: 16-[2-[2,3-bis(1-oxohexadecoxy)propoxy-hydroxyphosphoryl]oxyethylamino]hexadecanoic acid IUPAC Name: 16-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylamino]hexadecanoic acid Traditional Name: 16-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethylamino]palmitic acid Formula: C53H104NO10P MolecularWeight: 946.367321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNCCCCCCCCCCCCCCCC(=O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNCCCCCCCCCCCCCCCC(=O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C53H104NO10P/c1-3-5-7-9-11-13-15-18-23-27-31-35-39-43-52(57)61-48-50(64-53(58)44-40-36-32-28-24-19-16-14-12-10-8-6-4-2)49-63-65(59,60)62-47-46-54-45-41-37-33-29-25-21-17-20-22-26-30-34-38-42-51(55)56/h50,54H,3-49H2,1-2H3,(H,55,56)(H,59,60)