sodium [(2R,3R,4R,5S,6S)-2,5-dimethoxy-6-methyl-3-sulfooxy-oxan-4-yl] hydrogen sulfate

Systemtic Name: sodium [(2R,3R,4R,5S,6S)-2,5-dimethoxy-6-methyl-3-sulfooxy-oxan-4-yl] hydrogen sulfate Openeye Name: sodium [(2R,3R,4R,5S,6S)-2,5-dimethoxy-6-methyl-3-sulfooxy-tetrahydropyran-4-yl] hydrogen sulfate CAS Name: sodium sulfuric acid [(2R,3R,4R,5S,6S)-2,5-dimethoxy-6-methyl-3-sulfooxy-4-oxanyl] ester IUPAC Name: sodium [(2R,3R,4R,5S,6S)-2,5-dimethoxy-6-methyl-3-sulfooxyoxan-4-yl] hydrogen sulfate Traditional Name: sodium sulfuric acid [(2R,3R,4R,5S,6S)-2,5-dimethoxy-6-methyl-3-sulfoxy-tetrahydropyran-4-yl] ester Formula: C8H16NaO11S2+ MolecularWeight: 375.32581

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC)OS(=O)(=O)O)OS(=O)(=O)O)OC.[Na+]

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC)OS(=O)(=O)O)OS(=O)(=O)O)OC.[Na+]

InChI

InChI=1S/C8H16O11S2.Na/c1-4-5(15-2)6(18-20(9,10)11)7(8(16-3)17-4)19-21(12,13)14;/h4-8H,1-3H3,(H,9,10,11)(H,12,13,14);/q;+1/t4-,5-,6+,7+,8+;/m0./s1