[5-(hexadecanoylamino)-2-(hydroxymethyl)-3-oxidanyl-6-phenylmethoxy-oxan-4-yl] hexadecanoate

Systemtic Name: [5-(hexadecanoylamino)-2-(hydroxymethyl)-3-oxidanyl-6-phenylmethoxy-oxan-4-yl] hexadecanoate Openeye Name: [2-benzyloxy-3-(hexadecanoylamino)-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] hexadecanoate CAS Name: hexadecanoic acid [3-hydroxy-2-(hydroxymethyl)-5-(1-oxohexadecylamino)-6-phenylmethoxy-4-oxanyl] ester IUPAC Name: [5-(hexadecanoylamino)-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl] hexadecanoate Traditional Name: palmitic acid (2-benzoxy-5-hydroxy-6-methylol-3-palmitamido-tetrahydropyran-4-yl) ester Formula: C45H79NO7 MolecularWeight: 746.11126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)CO)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)CO)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C45H79NO7/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-40(48)46-42-44(43(50)39(36-47)52-45(42)51-37-38-32-28-27-29-33-38)53-41(49)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-29,32-33,39,42-45,47,50H,3-26,30-31,34-37H2,1-2H3,(H,46,48)