N-acetyl-2'-O-methyllactosamine
N-[(3R,4S,5R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy-3,5,6-trihydroxy-1-oxohexan-2-yl]acetamide
Also Known As: Ac-2-Melac|N-Acetyl-2'-O-methyllactosamine|KST-1A0269|(2xi)-2-(acetylamino)-2-deoxy-4-o-(2-o-methyl-|A-d-galactopyranosyl)-d-arabino-hexose|N-[(3R,4S,5R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy-3,5,6-trihydroxy-1-oxohexan-2-yl]acetamide|2-Deoxy-2-[(1-hydroxyethylidene)amino]-4-O-(2-O-methylhexopyranosyl)hexose|(2xi)-2-Deoxy-2-[(1-hydroxyethylidene)amino]-4-O-(2-O-methyl-beta-D-galactopyranosyl)-D-arabino-hexose
| Molecular Formula | C15H27NO11 |
|---|---|
| Molecular Weight | 397.15842 g/mol |
| LogP | -4.5 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 397.15842 |
| Monoisotopic Mass | 397.15842 |
| Heavy Atoms | 27 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 6641-01-6 |
|---|---|
| SMILES | CC(=O)NC(C=O)[C@H]([C@@H]([C@@H](CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)OC)O |
| InChIKey | ONETVDVNEZHXBB-JKVVGOODSA-N |
Product Overview
N-acetyl-2'-O-methyllactosamine (CAS 6641-01-6), with molecular formula C15H27NO11 and molecular weight 397.15842 g/mol. IUPAC: N-[(3R,4S,5R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy-3,5,6-trihydroxy-1-oxohexan-2-yl]acetamide.