(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[2-(methylsulfonylmethyl)-1-oxidanidyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl]sulfanyl]oxane-3,4,5-triol

Systemtic Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[2-(methylsulfonylmethyl)-1-oxidanidyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl]sulfanyl]oxane-3,4,5-triol Openeye Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[2-(methylsulfonylmethyl)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-5-yl]sulfanyl]tetrahydropyran-3,4,5-triol CAS Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[2-(methylsulfonylmethyl)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-5-yl]thio]oxane-3,4,5-triol IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[2-(methylsulfonylmethyl)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-5-yl]sulfanyl]oxane-3,4,5-triol Traditional Name: (2S,3R,4S,5S,6R)-2-[[5-(mesylmethyl)-1-oxido-1-pyrrolin-1-ium-2-yl]thio]-6-methylol-tetrahydropyran-3,4,5-triol Formula: C12H21NO8S2 MolecularWeight: 371.42704

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1CCC(=[N+]1[O-])SC2C(C(C(C(O2)CO)O)O)O

Isomeric SMILES

CS(=O)(=O)CC1CCC(=[N+]1[O-])S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

InChI

InChI=1S/C12H21NO8S2/c1-23(19,20)5-6-2-3-8(13(6)18)22-12-11(17)10(16)9(15)7(4-14)21-12/h6-7,9-12,14-17H,2-5H2,1H3/t6?,7-,9-,10+,11-,12+/m1/s1