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

Systemtic Name: sodium [(2R,3R,4R,5R,6S)-2-methoxy-6-methyl-5-prop-2-enoxy-3-sulfooxy-oxan-4-yl] hydrogen sulfate Openeye Name: sodium [(2R,3R,4R,5R,6S)-5-allyloxy-2-methoxy-6-methyl-3-sulfooxy-tetrahydropyran-4-yl] hydrogen sulfate CAS Name: sodium sulfuric acid [(2R,3R,4R,5R,6S)-2-methoxy-6-methyl-5-prop-2-enoxy-3-sulfooxy-4-oxanyl] ester IUPAC Name: sodium [(2R,3R,4R,5R,6S)-2-methoxy-6-methyl-5-prop-2-enoxy-3-sulfooxyoxan-4-yl] hydrogen sulfate Traditional Name: sodium sulfuric acid [(2R,3R,4R,5R,6S)-5-allyloxy-2-methoxy-6-methyl-3-sulfoxy-tetrahydropyran-4-yl] ester Formula: C10H18NaO11S2+ MolecularWeight: 401.36309

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C10H18O11S2.Na/c1-4-5-18-7-6(2)19-10(17-3)9(21-23(14,15)16)8(7)20-22(11,12)13;/h4,6-10H,1,5H2,2-3H3,(H,11,12,13)(H,14,15,16);/q;+1/t6-,7+,8+,9+,10+;/m0./s1