[(2R,3S,4R,5R,6S)-2-methoxy-6-methyl-3-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-4-yl] hydrogen sulfate

Systemtic Name: [(2R,3S,4R,5R,6S)-2-methoxy-6-methyl-3-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-4-yl] hydrogen sulfate Openeye Name: [(2R,3S,4R,5R,6S)-5-hydroxy-2-methoxy-6-methyl-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl] hydrogen sulfate CAS Name: sulfuric acid [(2R,3S,4R,5R,6S)-5-hydroxy-2-methoxy-6-methyl-3-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-4-oxanyl] ester IUPAC Name: [(2R,3S,4R,5R,6S)-5-hydroxy-2-methoxy-6-methyl-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl] hydrogen sulfate Traditional Name: sulfuric acid [(2R,3S,4R,5R,6S)-5-hydroxy-2-methoxy-6-methyl-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl] ester Formula: C13H24O12S MolecularWeight: 404.38746

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(C(OC2OC)C)O)OS(=O)(=O)O)O)O)O

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@@H]([C@@H](O[C@H]2OC)C)O)OS(=O)(=O)O)O)O)O

InChI

InChI=1S/C13H24O12S/c1-4-6(14)8(16)9(17)12(22-4)24-11-10(25-26(18,19)20)7(15)5(2)23-13(11)21-3/h4-17H,1-3H3,(H,18,19,20)/t4-,5-,6+,7+,8+,9-,10+,11-,12-,13+/m0/s1