4,6-Dideoxy-4-malonylaminoglucose
3-[[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5R,6S)-3-acetyloxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,6-dihydroxy-2-methyloxan-3-yl]amino]-3-oxopropanoic acid
Also Known As: Qui4NMal|4,6-Dideoxy-4-malonylaminoglucose|4,6-Dideoxy-4-malonylamino-D-glucose|3-[[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5R,6S)-3-acetyloxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,6-dihydroxy-2-methyloxan-3-yl]amino]-3-oxopropanoic acid|3-o-(2-o-acetyl-6-deoxy-|A-l-mannopyranosyl)-4-[(carboxyacetyl)amino]-4,6-dideoxy-|A-d-glucopyranose|3-O-(2-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl)-4-[(2-carboxy-1-hydroxyethylidene)amino]-4,6-dideoxy-beta-D-glucopyranose|3-O-(2-O-Acetyl-6-deoxyhexopyranosyl)-4-[(2-carboxy-1-hydroxyethylidene)amino]-4,6-dideoxyhexopyranose
| Molecular Formula | C17H27NO12 |
|---|---|
| Molecular Weight | 437.15332 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 437.15332 |
| Monoisotopic Mass | 437.15332 |
| Heavy Atoms | 30 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 1824-72-2 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)OC(=O)C)NC(=O)CC(=O)O |
| InChIKey | YEXKHDSGIBZZPH-FSIRCQHCSA-N |
Product Overview
4,6-Dideoxy-4-malonylaminoglucose (CAS 1824-72-2), with molecular formula C17H27NO12 and molecular weight 437.15332 g/mol. IUPAC: 3-[[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5R,6S)-3-acetyloxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,6-dihydroxy-2-methyloxan-3-yl]amino]-3-oxopropanoic acid.