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

Systemtic Name: [(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-4-prop-2-enoxy-5-sulfooxy-oxan-3-yl] hydrogen sulfate Openeye Name: [(2S,3S,4S,5R,6R)-4-allyloxy-2-methoxy-6-(methoxymethyl)-5-sulfooxy-tetrahydropyran-3-yl] hydrogen sulfate CAS Name: sulfuric acid [(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-4-prop-2-enoxy-5-sulfooxy-3-oxanyl] ester IUPAC Name: [(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-4-prop-2-enoxy-5-sulfooxyoxan-3-yl] hydrogen sulfate Traditional Name: sulfuric acid [(2S,3S,4S,5R,6R)-4-allyloxy-2-methoxy-6-(methoxymethyl)-5-sulfoxy-tetrahydropyran-3-yl] ester Formula: C11H20O12S2 MolecularWeight: 408.3993

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Descriptors Computed from Structure

Canonical SMILES:

COCC1C(C(C(C(O1)OC)OS(=O)(=O)O)OCC=C)OS(=O)(=O)O

Isomeric SMILES

COC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)OS(=O)(=O)O)OCC=C)OS(=O)(=O)O

InChI

InChI=1S/C11H20O12S2/c1-4-5-20-9-8(22-24(12,13)14)7(6-18-2)21-11(19-3)10(9)23-25(15,16)17/h4,7-11H,1,5-6H2,2-3H3,(H,12,13,14)(H,15,16,17)/t7-,8-,9+,10+,11+/m1/s1