Man1GlcNAc2
N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R)-2-acetamido-5,6-dihydroxy-1-oxo-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Also Known As: Man1GlcNAc2|Man-1-4-glcnac-1-4-glcnac|Manbeta1-4GlcNAcbeta1-4GlcNAc|Mannopyranosyl-(1-4)-2-acetamido-2-deoxyglucopyranosyl-(1-4)-2-acetamido-2-deoxyglucopyranose|N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R)-2-acetamido-5,6-dihydroxy-1-oxo-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide|D-Glucose, O-beta-D-mannopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-|2-Acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[beta-D-mannopyranosyl-(1->4)]-2-acetamido-2-deoxy-D-glucose|D-Glucose, O-beta-D-mannopyranosyl-(1-->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-->4)-2-(acetylamino)-2-deoxy-|O-beta-D-Mannopyranosyl-(1-->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-->4)-2-(acetylamino)-2-deoxy-D-glucose
| Molecular Formula | C22H38N2O16 |
|---|---|
| Molecular Weight | 586.2221 g/mol |
| LogP | -7.4428 |
| Topological Polar Surface Area | 294.26 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 13 |
| Exact Mass | 586.2221 |
| Monoisotopic Mass | 586.2221 |
| Heavy Atoms | 40 |
| Complexity | 834.62964 |
Chemical Identifiers
| CAS Number | 61652-90-2 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]([C@H](C=O)NC(=O)C)[C@@H]([C@@H](CO)O)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO)O)O |
Product Overview
Man1GlcNAc2 (CAS 61652-90-2), with molecular formula C22H38N2O16 and molecular weight 586.2221 g/mol. IUPAC: N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R)-2-acetamido-5,6-dihydroxy-1-oxo-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.