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

Systemtic Name: sodium [(2S,3R,4S,5S,6R)-2-[(2S,3S,4R,5R,6R)-5-acetamido-2-(chloromethyl)-6-(9-methoxy-9-oxidanylidene-nonoxy)-4-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-3-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] sulfate Openeye Name: sodium [(2S,3R,4S,5S,6R)-2-[(2S,3S,4R,5R,6R)-5-acetamido-2-(chloromethyl)-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-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] sulfate CAS Name: sodium [(2S,3R,4S,5S,6R)-2-[[(2S,3S,4R,5R,6R)-5-acetamido-2-(chloromethyl)-6-(9-methoxy-9-oxononoxy)-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3-oxanyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl] sulfate IUPAC Name: sodium [(2S,3R,4S,5S,6R)-2-[(2S,3S,4R,5R,6R)-5-acetamido-2-(chloromethyl)-6-(9-methoxy-9-oxononoxy)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] sulfate Traditional Name: sodium [(2S,3R,4S,5S,6R)-2-[(2S,3S,4R,5R,6R)-5-acetamido-2-(chloromethyl)-6-(9-keto-9-methoxy-nonoxy)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl] sulfate Formula: C30H51ClNNaO19S MolecularWeight: 820.22901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)OS(=O)(=O)[O-])O)CCl)OCCCCCCCCC(=O)OC)NC(=O)C)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@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OS(=O)(=O)[O-])O)CCl)OCCCCCCCCC(=O)OC)NC(=O)C)O)O)O.[Na+]

InChI

InChI=1S/C30H52ClNO19S.Na/c1-14-20(36)22(38)23(39)29(46-14)50-26-19(32-15(2)34)28(45-11-9-7-5-4-6-8-10-18(35)44-3)47-16(12-31)25(26)49-30-24(40)27(51-52(41,42)43)21(37)17(13-33)48-30;/h14,16-17,19-30,33,36-40H,4-13H2,1-3H3,(H,32,34)(H,41,42,43);/q;+1/p-1/t14-,16+,17+,19+,20+,21-,22+,23-,24+,25+,26+,27-,28+,29-,30-;/m0./s1