methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(2-azanyl-3-cyano-phenoxy)oxane-2-carboxylate

Systemtic Name: methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(2-azanyl-3-cyano-phenoxy)oxane-2-carboxylate Openeye Name: methyl (2S,3S,4S,5R,6S)-3,4,5-triacetoxy-6-(2-amino-3-cyano-phenoxy)tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(2-amino-3-cyanophenoxy)-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(2-amino-3-cyanophenoxy)oxane-2-carboxylate Traditional Name: (2S,3S,4S,5R,6S)-3,4,5-triacetoxy-6-(2-amino-3-cyano-phenoxy)tetrahydropyran-2-carboxylic acid methyl ester Formula: C20H22N2O10 MolecularWeight: 450.39608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC(C1OC(=O)C)OC2=CC=CC(=C2N)C#N)C(=O)OC)OC(=O)C

Isomeric SMILES

CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC2=CC=CC(=C2N)C#N)C(=O)OC)OC(=O)C

InChI

InChI=1S/C20H22N2O10/c1-9(23)28-15-16(29-10(2)24)18(30-11(3)25)20(32-17(15)19(26)27-4)31-13-7-5-6-12(8-21)14(13)22/h5-7,15-18,20H,22H2,1-4H3/t15-,16-,17-,18+,20+/m0/s1