[2-azanyloxy-2-(2-hexadecanoyloxytetradecanoyl)-6-(hydroxymethyl)-5-sulfooxy-oxan-4-yl] hexadecanoate

Systemtic Name: [2-azanyloxy-2-(2-hexadecanoyloxytetradecanoyl)-6-(hydroxymethyl)-5-sulfooxy-oxan-4-yl] hexadecanoate Openeye Name: [2-aminooxy-2-(2-hexadecanoyloxytetradecanoyl)-6-(hydroxymethyl)-5-sulfooxy-tetrahydropyran-4-yl] hexadecanoate CAS Name: hexadecanoic acid [2-aminooxy-6-(hydroxymethyl)-2-[1-oxo-2-(1-oxohexadecoxy)tetradecyl]-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-aminooxy-2-(2-hexadecanoyloxytetradecanoyl)-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl] hexadecanoate Traditional Name: palmitic acid [2-aminooxy-2-(2-hexadecanoyloxytetradecanoyl)-6-methylol-5-sulfoxy-tetrahydropyran-4-yl] ester Formula: C52H99NO12S MolecularWeight: 962.40696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1CC(OC(C1OS(=O)(=O)O)CO)(C(=O)C(CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)ON

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1CC(OC(C1OS(=O)(=O)O)CO)(C(=O)C(CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)ON

InChI

InChI=1S/C52H99NO12S/c1-4-7-10-13-16-19-22-24-26-29-32-35-38-41-48(55)61-45(40-37-34-31-28-21-18-15-12-9-6-3)51(57)52(65-53)43-46(50(47(44-54)63-52)64-66(58,59)60)62-49(56)42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h45-47,50,54H,4-44,53H2,1-3H3,(H,58,59,60)