sodium (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3S,4R,5R)-3-[(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5,6-tris(oxidanyl)oxan-2-yl]methoxy]-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate

Systemtic Name: sodium (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3S,4R,5R)-3-[(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5,6-tris(oxidanyl)oxan-2-yl]methoxy]-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate Openeye Name: sodium (2R,4S,5R,6R)-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methoxy]tetrahydropyran-2-carboxylate CAS Name: sodium (2R,4S,5R,6R)-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-3-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]methoxy]-2-oxanecarboxylate IUPAC Name: sodium (2R,4S,5R,6R)-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-2-carboxylate Traditional Name: sodium (2R,4S,5R,6R)-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methoxy]tetrahydropyran-2-carboxylate Formula: C23H38NNaO19 MolecularWeight: 655.53289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)[O-])OCC2C(C(C(C(O2)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)O.[Na+]

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)OC3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O.[Na+]

InChI

InChI=1S/C23H39NO19.Na/c1-6(27)24-11-7(28)2-23(22(37)38,43-19(11)12(30)8(29)3-25)39-5-10-18(15(33)16(34)20(36)40-10)42-21-17(35)14(32)13(31)9(4-26)41-21;/h7-21,25-26,28-36H,2-5H2,1H3,(H,24,27)(H,37,38);/q;+1/p-1/t7-,8+,9+,10+,11+,12+,13-,14-,15+,16+,17+,18+,19+,20?,21?,23+;/m0./s1