[(3R,4S,5S,6R)-5-acetamido-2-(hydroxymethyl)-3-oxidanyl-6-phenylmethoxy-oxan-4-yl] benzoate

Systemtic Name: [(3R,4S,5S,6R)-5-acetamido-2-(hydroxymethyl)-3-oxidanyl-6-phenylmethoxy-oxan-4-yl] benzoate Openeye Name: [(2R,3S,4S,5R)-3-acetamido-2-benzyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(3R,4S,5S,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxy-4-oxanyl] ester IUPAC Name: [(3R,4S,5S,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl] benzoate Traditional Name: benzoic acid [(2R,3S,4S,5R)-3-acetamido-2-benzoxy-5-hydroxy-6-methylol-tetrahydropyran-4-yl] ester Formula: C22H25NO7 MolecularWeight: 415.4364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)CO)O)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H]1[C@@H]([C@H](C(O[C@H]1OCC2=CC=CC=C2)CO)O)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO7/c1-14(25)23-18-20(30-21(27)16-10-6-3-7-11-16)19(26)17(12-24)29-22(18)28-13-15-8-4-2-5-9-15/h2-11,17-20,22,24,26H,12-13H2,1H3,(H,23,25)/t17?,18-,19-,20-,22+/m0/s1