[(2R)-3-[2-azanyloxyethoxy(phenylmethoxy)phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [(2R)-3-[2-azanyloxyethoxy(phenylmethoxy)phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [(2R)-3-[2-aminooxyethoxy(benzyloxy)phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [(2R)-3-[2-aminooxyethoxy(phenylmethoxy)phosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [(2R)-3-[2-aminooxyethoxy(phenylmethoxy)phosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [(2R)-3-[2-aminooxyethoxy(benzoxy)phosphoryl]oxy-2-hexadecanoyloxy-propyl] ester Formula: C44H80NO9P MolecularWeight: 798.081061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCCON)OCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OCCON)OCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C44H80NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-43(46)49-39-42(40-53-55(48,51-37-36-50-45)52-38-41-32-28-27-29-33-41)54-44(47)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-29,32-33,42H,3-26,30-31,34-40,45H2,1-2H3/t42-,55?/m1/s1