[3,4-diacetyloxy-5-(hexadecanoylamino)-6-phenylmethoxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4-diacetyloxy-5-(hexadecanoylamino)-6-phenylmethoxy-oxan-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-6-benzyloxy-5-(hexadecanoylamino)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4-diacetyloxy-5-(1-oxohexadecylamino)-6-phenylmethoxy-2-oxanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-(hexadecanoylamino)-6-phenylmethoxyoxan-2-yl]methyl acetate Traditional Name: acetic acid (3,4-diacetoxy-6-benzoxy-5-palmitamido-tetrahydropyran-2-yl)methyl ester Formula: C35H55NO9 MolecularWeight: 633.8125

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C35H55NO9/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-31(40)36-32-34(44-28(4)39)33(43-27(3)38)30(25-41-26(2)37)45-35(32)42-24-29-21-18-17-19-22-29/h17-19,21-22,30,32-35H,5-16,20,23-25H2,1-4H3,(H,36,40)