[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-heptoxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-heptoxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetoxy-6-heptoxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-heptoxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-heptoxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetoxy-6-heptoxy-tetrahydropyran-2-yl]methyl ester Formula: C21H35NO9 MolecularWeight: 445.5039

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C

Isomeric SMILES

CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C

InChI

InChI=1S/C21H35NO9/c1-6-7-8-9-10-11-27-21-18(22-13(2)23)20(30-16(5)26)19(29-15(4)25)17(31-21)12-28-14(3)24/h17-21H,6-12H2,1-5H3,(H,22,23)/t17-,18-,19-,20-,21-/m1/s1