[(2S)-2-[2,3-di(octadecanoyloxy)propylamino]-3-oxidanyl-3-oxidanylidene-propyl] hydrogen phosphate

Systemtic Name: [(2S)-2-[2,3-di(octadecanoyloxy)propylamino]-3-oxidanyl-3-oxidanylidene-propyl] hydrogen phosphate Openeye Name: [(2S)-2-[2,3-di(octadecanoyloxy)propylamino]-3-hydroxy-3-oxo-propyl] hydrogen phosphate CAS Name: [(2S)-2-[2,3-bis(1-oxooctadecoxy)propylamino]-3-hydroxy-3-oxopropyl] hydrogen phosphate IUPAC Name: [(2S)-2-[2,3-di(octadecanoyloxy)propylamino]-3-hydroxy-3-oxopropyl] hydrogen phosphate Traditional Name: [(2S)-2-(2,3-distearoyloxypropylamino)-3-hydroxy-3-keto-propyl] hydrogen phosphate Formula: C42H81NO10P- MolecularWeight: 791.067001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CNC(COP(=O)(O)[O-])C(=O)O)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CN[C@@H](COP(=O)(O)[O-])C(=O)O)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)51-36-38(35-43-39(42(46)47)37-52-54(48,49)50)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39,43H,3-37H2,1-2H3,(H,46,47)(H2,48,49,50)/p-1/t38?,39-/m0/s1