[(2R)-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecoxy-propan-2-yl] docosanoate

Systemtic Name: [(2R)-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecoxy-propan-2-yl] docosanoate Openeye Name: [(1R)-1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-hexadecoxy-ethyl] docosanoate CAS Name: docosanoic acid [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecoxypropan-2-yl] ester IUPAC Name: [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecoxypropan-2-yl] docosanoate Traditional Name: behenic acid [(1R)-1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-cetyloxy-ethyl] ester Formula: C43H88NO7P MolecularWeight: 762.135081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN

InChI

InChI=1S/C43H88NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h42H,3-41,44H2,1-2H3,(H,46,47)/t42-/m1/s1