(2R,4R,5S,6S)-5-acetamido-2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate

Systemtic Name: (2R,4R,5S,6S)-5-acetamido-2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate Openeye Name: (2R,4R,5S,6S)-5-acetamido-4-hydroxy-2-(4-methyl-2-oxo-chromen-7-yl)oxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2R,4R,5S,6S)-5-acetamido-4-hydroxy-2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylate IUPAC Name: (2R,4R,5S,6S)-5-acetamido-4-hydroxy-2-(4-methyl-2-oxochromen-7-yl)oxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate Traditional Name: (2R,4R,5S,6S)-5-acetamido-4-hydroxy-2-(2-keto-4-methyl-chromen-7-yl)oxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate Formula: C21H24NO11- MolecularWeight: 466.41536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC3(CC(C(C(O3)C(C(CO)O)O)NC(=O)C)O)C(=O)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)O[C@]3(C[C@H]([C@@H]([C@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)[O-]

InChI

InChI=1S/C21H25NO11/c1-9-5-16(27)31-15-6-11(3-4-12(9)15)32-21(20(29)30)7-13(25)17(22-10(2)24)19(33-21)18(28)14(26)8-23/h3-6,13-14,17-19,23,25-26,28H,7-8H2,1-2H3,(H,22,24)(H,29,30)/p-1/t13-,14-,17+,18-,19+,21+/m1/s1