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

Systemtic Name: sodium [(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-5-phenylmethoxy-3-sulfooxy-oxan-4-yl] hydrogen sulfate Openeye Name: sodium [(2R,3R,4R,5S,6S)-5-benzyloxy-2-methoxy-6-methyl-3-sulfooxy-tetrahydropyran-4-yl] hydrogen sulfate CAS Name: sodium sulfuric acid [(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-5-phenylmethoxy-3-sulfooxy-4-oxanyl] ester IUPAC Name: sodium [(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-5-phenylmethoxy-3-sulfooxyoxan-4-yl] hydrogen sulfate Traditional Name: sodium sulfuric acid [(2R,3R,4R,5S,6S)-5-benzoxy-2-methoxy-6-methyl-3-sulfoxy-tetrahydropyran-4-yl] ester Formula: C14H20NaO11S2+ MolecularWeight: 451.42177

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC)OS(=O)(=O)O)OS(=O)(=O)O)OCC2=CC=CC=C2.[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)OCC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C14H20O11S2.Na/c1-9-11(22-8-10-6-4-3-5-7-10)12(24-26(15,16)17)13(14(21-2)23-9)25-27(18,19)20;/h3-7,9,11-14H,8H2,1-2H3,(H,15,16,17)(H,18,19,20);/q;+1/t9-,11-,12+,13+,14+;/m0./s1