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

Systemtic Name: [(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-6-propoxy-oxan-4-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate Openeye Name: [(2S,3R,4S,5S,6R)-3,5-dihydroxy-2-[(2R,3R,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-propoxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl]oxy-6-(sulfooxymethyl)tetrahydropyran-4-yl] hydrogen sulfate CAS Name: sulfuric acid [(2S,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-propoxy-3-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-4-oxanyl]oxy]-6-(sulfooxymethyl)-4-oxanyl] ester IUPAC Name: [(2S,3R,4S,5S,6R)-3,5-dihydroxy-2-[(2R,3R,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-propoxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate Traditional Name: sulfuric acid [(2S,3R,4S,5S,6R)-3,5-dihydroxy-2-[(2R,3R,4R,5R,6R)-5-hydroxy-2-methylol-6-propoxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl]oxy-6-(sulfoxymethyl)tetrahydropyran-4-yl] ester Formula: C21H38O21S2 MolecularWeight: 690.64382

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)C)O)O)O)OC3C(C(C(C(O3)COS(=O)(=O)O)O)OS(=O)(=O)O)O)O

Isomeric SMILES

CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COS(=O)(=O)O)O)OS(=O)(=O)O)O)O

InChI

InChI=1S/C21H38O21S2/c1-3-4-35-19-15(28)18(16(8(5-22)38-19)40-20-13(26)12(25)10(23)7(2)37-20)41-21-14(27)17(42-44(32,33)34)11(24)9(39-21)6-36-43(29,30)31/h7-28H,3-6H2,1-2H3,(H,29,30,31)(H,32,33,34)/t7-,8+,9+,10+,11-,12+,13-,14+,15+,16+,17-,18+,19+,20-,21-/m0/s1