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

Systemtic Name: [(2R,3R,4R,5R,6R)-3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-6-propoxy-oxan-2-yl]methyl hydrogen sulfate Openeye Name: [(2R,3R,4R,5R,6R)-5-hydroxy-6-propoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl hydrogen sulfate CAS Name: sulfuric acid [(2R,3R,4R,5R,6R)-5-hydroxy-6-propoxy-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R,6R)-5-hydroxy-6-propoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate Traditional Name: sulfuric acid [(2R,3R,4R,5R,6R)-5-hydroxy-6-propoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C21H38O18S MolecularWeight: 610.58062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38O18S/c1-3-4-33-19-16(29)18(39-20-14(27)12(25)10(23)7(2)35-20)17(9(37-19)6-34-40(30,31)32)38-21-15(28)13(26)11(24)8(5-22)36-21/h7-29H,3-6H2,1-2H3,(H,30,31,32)/t7-,8+,9+,10+,11-,12+,13-,14-,15+,16+,17+,18+,19+,20-,21-/m0/s1