sodium [(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5S)-1-decyl-2-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-piperidin-4-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] sulfate

Systemtic Name: sodium [(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5S)-1-decyl-2-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-piperidin-4-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] sulfate Openeye Name: sodium [(2S,3R,4S,5S,6R)-2-[[(2R,3R,4R,5S)-1-decyl-5-hydroxy-2-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-piperidyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] sulfate CAS Name: sodium [(2S,3R,4S,5S,6R)-2-[[(2R,3R,4R,5S)-1-decyl-5-hydroxy-2-(hydroxymethyl)-3-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-4-piperidinyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl] sulfate IUPAC Name: sodium [(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5S)-1-decyl-5-hydroxy-2-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypiperidin-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] sulfate Traditional Name: sodium [(2S,3R,4S,5S,6R)-2-[[(2R,3R,4R,5S)-1-decyl-5-hydroxy-2-methylol-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-piperidyl]oxy]-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl] sulfate Formula: C28H52NNaO16S MolecularWeight: 713.76435

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1CC(C(C(C1CO)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

CCCCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)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/C28H53NO16S.Na/c1-3-4-5-6-7-8-9-10-11-29-12-17(32)25(24(16(29)13-30)43-27-22(36)21(35)19(33)15(2)41-27)44-28-23(37)26(45-46(38,39)40)20(34)18(14-31)42-28;/h15-28,30-37H,3-14H2,1-2H3,(H,38,39,40);/q;+1/p-1/t15-,16+,17-,18+,19+,20-,21+,22-,23+,24+,25+,26-,27-,28-;/m0./s1