2-Acetamido-2-deoxy-3-O-beta-D-glucopyranuronosyl-4-O-sulfo-D-galactopyranose
(2S,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: GlcA(b1-3)GalNAc4S|GlyTouCan:G92988PL|G92988PL|2-Acetamido-2-deoxy-3-O-beta-D-glucopyranuronosyl-4-O-sulfo-D-galactopyranose|(2S,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-Acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid|beta-D-gluco-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-4-O-sulfo-D-galacto-hexopyranose|WURCS=2.0/2,2,1/[a2112h-1x_1-5_2*NCC/3=O_4*OSO/3=O/3=O][a2122A-1b_1-5]/1-2/a3-b1
| Molecular Formula | C14H23NO15S |
|---|---|
| Molecular Weight | 477.07883 g/mol |
| LogP | -5.334 |
| Topological Polar Surface Area | 258.84 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.07883 |
| Monoisotopic Mass | 477.07883 |
| Heavy Atoms | 31 |
| Complexity | 760.81104 |
Chemical Identifiers
| CAS Number | 52259-40-2 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)OS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
Product Overview
2-Acetamido-2-deoxy-3-O-beta-D-glucopyranuronosyl-4-O-sulfo-D-galactopyranose (CAS 52259-40-2), with molecular formula C14H23NO15S and molecular weight 477.07883 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.