sodium N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4,5-bis(oxidanyl)oxan-3-yl]sulfamate

Systemtic Name: sodium N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4,5-bis(oxidanyl)oxan-3-yl]sulfamate Openeye Name: sodium N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydropyran-3-yl]sulfamate CAS Name: sodium N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-3-oxanyl]sulfamate IUPAC Name: sodium N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]sulfamate Traditional Name: sodium N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-2-(2-keto-4-methyl-chromen-7-yl)oxy-6-methylol-tetrahydropyran-3-yl]sulfamate Formula: C16H18NNaO10S MolecularWeight: 439.36959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)NS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H19NO10S.Na/c1-7-4-12(19)26-10-5-8(2-3-9(7)10)25-16-13(17-28(22,23)24)15(21)14(20)11(6-18)27-16;/h2-5,11,13-18,20-21H,6H2,1H3,(H,22,23,24);/q;+1/p-1/t11-,13-,14-,15-,16+;/m1./s1