sodium [(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(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)oxan-4-yl] sulfate

Systemtic Name: sodium [(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(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)oxan-4-yl] sulfate Openeye Name: sodium [(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-(hydroxymethyl)tetrahydropyran-4-yl] sulfate CAS Name: sodium [(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-(hydroxymethyl)-4-oxanyl] sulfate IUPAC Name: sodium [(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-(hydroxymethyl)oxan-4-yl] sulfate Traditional Name: sodium [(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-methylol-tetrahydropyran-4-yl] sulfate Formula: C21H37NaO18S MolecularWeight: 632.56245

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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)CO)O)OS(=O)(=O)[O-])O)O.[Na+]

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)CO)O)OS(=O)(=O)[O-])O)O.[Na+]

InChI

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