[5-(hexadecanoylamino)-2-(hydroxymethyl)-3-oxidanyl-6-[(E)-prop-1-enoxy]oxan-4-yl] hexadecanoate

Systemtic Name: [5-(hexadecanoylamino)-2-(hydroxymethyl)-3-oxidanyl-6-[(E)-prop-1-enoxy]oxan-4-yl] hexadecanoate Openeye Name: [5-(hexadecanoylamino)-3-hydroxy-2-(hydroxymethyl)-6-[(E)-prop-1-enoxy]tetrahydropyran-4-yl] hexadecanoate CAS Name: hexadecanoic acid [3-hydroxy-2-(hydroxymethyl)-5-(1-oxohexadecylamino)-6-[(E)-prop-1-enoxy]-4-oxanyl] ester IUPAC Name: [5-(hexadecanoylamino)-3-hydroxy-2-(hydroxymethyl)-6-[(E)-prop-1-enoxy]oxan-4-yl] hexadecanoate Traditional Name: palmitic acid [3-hydroxy-2-methylol-5-palmitamido-6-[(E)-prop-1-enoxy]tetrahydropyran-4-yl] ester Formula: C41H77NO7 MolecularWeight: 696.05258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1C(C(C(OC1OC=CC)CO)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1C(C(C(OC1O/C=C/C)CO)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C41H77NO7/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-36(44)42-38-40(39(46)35(34-43)48-41(38)47-33-6-3)49-37(45)32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h6,33,35,38-41,43,46H,4-5,7-32,34H2,1-3H3,(H,42,44)/b33-6+