[(3aR,5S,6R,6aR)-5-[[(2R,3S,4S)-2-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-1-ium-1-yl]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] hydrogen sulfate

Systemtic Name: [(3aR,5S,6R,6aR)-5-[[(2R,3S,4S)-2-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-1-ium-1-yl]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] hydrogen sulfate Openeye Name: [(3aR,5S,6R,6aR)-5-[[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophen-1-ium-1-yl]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] hydrogen sulfate CAS Name: sulfuric acid [(3aR,5S,6R,6aR)-5-[[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)-1-thiolan-1-iumyl]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester IUPAC Name: [(3aR,5S,6R,6aR)-5-[[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] hydrogen sulfate Traditional Name: sulfuric acid [(3aR,5S,6R,6aR)-5-[[(2R,3S,4S)-3,4-dihydroxy-2-methylol-tetrahydrothiophen-1-ium-1-yl]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester Formula: C13H23O10S2+ MolecularWeight: 403.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(C(OC2O1)C[S+]3CC(C(C3CO)O)O)OS(=O)(=O)O)C

Isomeric SMILES

CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C[S+]3C[C@H]([C@@H]([C@H]3CO)O)O)OS(=O)(=O)O)C

InChI

InChI=1S/C13H22O10S2/c1-13(2)21-11-10(23-25(17,18)19)7(20-12(11)22-13)5-24-4-6(15)9(16)8(24)3-14/h6-12,14-16H,3-5H2,1-2H3/p+1/t6-,7-,8-,9+,10+,11-,12-,24?/m1/s1