[(2R)-2-hexadecanoyloxy-3-[oxidanyl-(4-oxidanylcyclohexyl)oxy-phosphoryl]oxy-propyl] hexadecanoate

Systemtic Name: [(2R)-2-hexadecanoyloxy-3-[oxidanyl-(4-oxidanylcyclohexyl)oxy-phosphoryl]oxy-propyl] hexadecanoate Openeye Name: [(2R)-2-hexadecanoyloxy-3-[hydroxy-(4-hydroxycyclohexoxy)phosphoryl]oxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [(2R)-3-[hydroxy-(4-hydroxycyclohexyl)oxyphosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [(2R)-2-hexadecanoyloxy-3-[hydroxy-(4-hydroxycyclohexyl)oxyphosphoryl]oxypropyl] hexadecanoate Traditional Name: palmitic acid [(2R)-2-hexadecanoyloxy-3-[hydroxy-(4-hydroxycyclohexoxy)phosphoryl]oxy-propyl] ester Formula: C41H79O9P MolecularWeight: 747.034321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1CCC(CC1)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1CCC(CC1)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C41H79O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-40(43)47-35-39(36-48-51(45,46)50-38-33-31-37(42)32-34-38)49-41(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-39,42H,3-36H2,1-2H3,(H,45,46)/t37?,38?,39-/m1/s1