3-deoxy-5-O-rhamnopyranosyl-2-octulopyranosonate
(4R,5R,6R,7R)-4,6,7,8-tetrahydroxy-2-oxo-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoctanoic acid
Also Known As: 3-Drmop|3-Deoxy-5-O-rhamnopyranosyl-2-octulopyranosonate|3-Deoxy-5-O-(6-deoxyhexopyranosyl)oct-2-ulosonic acid|3-Deoxy-5-O-alpha-L-rhamnopyranosyl-D-manno-2-octulopyranosonate|(4R,5R,6R,7R)-4,6,7,8-tetrahydroxy-2-oxo-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoctanoic acid|3-deoxy-5-o-(6-deoxy-|A-l-mannopyranosyl)-d-manno-oct-2-ulosonic acid|3-Deoxy-5-O-(6-deoxy-alpha-L-mannopyranosyl)-D-manno-oct-2-ulosonic acid|D-manno-2-Octulosonic acid, 3-deoxy-5-O-(6-deoxy-alpha-L-mannopyranosyl)-
| Molecular Formula | C14H24O12 |
|---|---|
| Molecular Weight | 384.12677 g/mol |
| LogP | -4.6 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 384.12677 |
| Monoisotopic Mass | 384.12677 |
| Heavy Atoms | 26 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 2091-07-8 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CC(=O)C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O)O |
| InChIKey | YFRXDFPUOICSHU-SMLUSZEVSA-N |
Product Overview
3-deoxy-5-O-rhamnopyranosyl-2-octulopyranosonate (CAS 2091-07-8), with molecular formula C14H24O12 and molecular weight 384.12677 g/mol. IUPAC: (4R,5R,6R,7R)-4,6,7,8-tetrahydroxy-2-oxo-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoctanoic acid.