sodium (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-3-oxidanyl-6-phenylmethoxy-5-sulfooxy-oxan-4-olate

Systemtic Name: sodium (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-3-oxidanyl-6-phenylmethoxy-5-sulfooxy-oxan-4-olate Openeye Name: sodium (2R,3R,4S,5S,6R)-2-benzyloxy-5-hydroxy-6-(hydroxymethyl)-3-sulfooxy-tetrahydropyran-4-olate CAS Name: sodium (2R,3S,4S,5R,6R)-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxy-5-sulfooxy-4-oxanolate IUPAC Name: sodium (2R,3S,4S,5R,6R)-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxy-5-sulfooxyoxan-4-olate Traditional Name: sodium (2R,3R,4S,5S,6R)-2-benzoxy-5-hydroxy-6-methylol-3-sulfoxy-tetrahydropyran-4-olate Formula: C13H17NaO9S MolecularWeight: 372.32345

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)[O-])OS(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)[O-])OS(=O)(=O)O.[Na+]

InChI

InChI=1S/C13H17O9S.Na/c14-6-9-10(15)11(16)12(22-23(17,18)19)13(21-9)20-7-8-4-2-1-3-5-8;/h1-5,9-15H,6-7H2,(H,17,18,19);/q-1;+1/t9-,10-,11+,12-,13-;/m1./s1