sodium [(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5R,6R)-5-acetamido-2-(hydroxymethyl)-6-(9-methoxy-9-oxidanylidene-nonoxy)-4-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-3-yl]oxy-5-chloranyl-6-(chloromethyl)-3-oxidanyl-oxan-4-yl] sulfate

Systemtic Name: sodium [(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5R,6R)-5-acetamido-2-(hydroxymethyl)-6-(9-methoxy-9-oxidanylidene-nonoxy)-4-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-3-yl]oxy-5-chloranyl-6-(chloromethyl)-3-oxidanyl-oxan-4-yl] sulfate Openeye Name: sodium [(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5R,6R)-5-acetamido-5-hydroxy-2-(hydroxymethyl)-6-(9-methoxy-9-oxo-nonoxy)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-5-chloro-6-(chloromethyl)-3-hydroxy-tetrahydropyran-4-yl] sulfate CAS Name: sodium [(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-5-acetamido-5-hydroxy-2-(hydroxymethyl)-6-(9-methoxy-9-oxononoxy)-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3-oxanyl]oxy]-5-chloro-6-(chloromethyl)-3-hydroxy-4-oxanyl] sulfate IUPAC Name: sodium [(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5R,6R)-5-acetamido-5-hydroxy-2-(hydroxymethyl)-6-(9-methoxy-9-oxononoxy)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-5-chloro-6-(chloromethyl)-3-hydroxyoxan-4-yl] sulfate Traditional Name: sodium [(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5R,6R)-5-acetamido-5-hydroxy-6-(9-keto-9-methoxy-nonoxy)-2-methylol-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-5-chloro-6-(chloromethyl)-3-hydroxy-tetrahydropyran-4-yl] sulfate Formula: C30H50Cl2NNaO19S MolecularWeight: 854.67407

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(OC(C2(NC(=O)C)O)OCCCCCCCCC(=O)OC)CO)OC3C(C(C(C(O3)CCl)Cl)OS(=O)(=O)[O-])O)O)O)O.[Na+]

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@]2(NC(=O)C)O)OCCCCCCCCC(=O)OC)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CCl)Cl)OS(=O)(=O)[O-])O)O)O)O.[Na+]

InChI

InChI=1S/C30H51Cl2NO19S.Na/c1-14-20(37)21(38)22(39)27(47-14)51-26-24(50-28-23(40)25(52-53(42,43)44)19(32)16(12-31)48-28)17(13-34)49-29(30(26,41)33-15(2)35)46-11-9-7-5-4-6-8-10-18(36)45-3;/h14,16-17,19-29,34,37-41H,4-13H2,1-3H3,(H,33,35)(H,42,43,44);/q;+1/p-1/t14-,16+,17+,19-,20+,21+,22-,23+,24+,25-,26-,27-,28-,29+,30+;/m0./s1