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

Systemtic Name: [(2S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4-bis(oxidanyl)-5-sulfooxy-oxan-2-yl]oxy-6-[(2R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,4R,5R,6S)-2-(hydroxymethyl)-5,6-bis(oxidanyl)-4-sulfooxy-oxan-3-yl]oxy-4-oxidanyl-5-sulfooxy-oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]methyl hydrogen sulfate Openeye Name: [(2R,3R,4S,6R)-2-[(2R,4R,5R,6S)-5,6-dihydroxy-2-(hydroxymethyl)-4-sulfooxy-tetrahydropyran-3-yl]oxy-5-[(2R,3R,4R,6S)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-sulfooxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] hydrogen sulfate CAS Name: sulfuric acid [(2R,3R,4S,6R)-2-[[(2R,4R,5R,6S)-5,6-dihydroxy-2-(hydroxymethyl)-4-sulfooxy-3-oxanyl]oxy]-5-[[(2R,3R,4R,6S)-5-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-sulfooxy-2-oxanyl]oxy]-3,4-dihydroxy-6-(sulfooxymethyl)-2-oxanyl]oxy]-4-hydroxy-6-(hydroxymethyl)-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,6R)-2-[(2R,4R,5R,6S)-5,6-dihydroxy-2-(hydroxymethyl)-4-sulfooxyoxan-3-yl]oxy-5-[(2R,3R,4R,6S)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-3,4-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl] hydrogen sulfate Traditional Name: sulfuric acid [(2R,3R,4S,6R)-2-[(2R,4R,5R,6S)-5,6-dihydroxy-2-methylol-4-sulfoxy-tetrahydropyran-3-yl]oxy-5-[(2R,3R,4R,6S)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-methylol-5-sulfoxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(sulfoxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-6-methylol-tetrahydropyran-3-yl] ester Formula: C24H42O33S4 MolecularWeight: 986.83048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(C(O1)O)O)OS(=O)(=O)O)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)COS(=O)(=O)O)OC4C(C(C(C(O4)CO)OS(=O)(=O)O)O)O)O)O)O)OS(=O)(=O)O)O

Isomeric SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H](O[C@@H]([C@@H]([C@H]2O)O)OC3[C@H](O[C@@H]([C@@H]([C@H]3O)OS(=O)(=O)O)OC4[C@H](O[C@@H]([C@@H]([C@H]4OS(=O)(=O)O)O)O)CO)CO)COS(=O)(=O)O)O)O)OS(=O)(=O)O)O

InChI

InChI=1S/C24H42O33S4/c25-1-5-15(13(32)20(57-61(44,45)46)24(50-5)54-18-7(3-27)48-21(34)14(33)19(18)56-60(41,42)43)52-23-11(30)9(28)16(8(51-23)4-47-58(35,36)37)53-22-12(31)10(29)17(6(2-26)49-22)55-59(38,39)40/h5-34H,1-4H2,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)/t5-,6-,7-,8+,9-,10-,11-,12-,13+,14-,15?,16?,17-,18?,19-,20-,21+,22-,23-,24-/m1/s1