D-ribosylnicotinic acid
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxylic acid
Also Known As: D-ribosylnicotinic acid|ribosylnicotinate|Nicotinate riboside|Nicotinate ribose|nicotinic acid riboside|D-ribosylnicotinate|nicotinic acid ribose|Nicotinate D-ribonucleoside|beta-D-Ribosylnicotinate|Nicotinate ribonucleoside|Nicotinic acid ribonucleoside|3-carboxy-1-(D-ribofuranosyl)pyridinium|1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxylic acid|1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)pyridin-1-ium-3-carboxylic acid|3-Carboxy-1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-Hydroxymethyl-Tetrahydro-Furan-2-Yl)-Pyridinium
| Molecular Formula | C11H14NO6+ |
|---|---|
| Molecular Weight | 256.08212 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.08212 |
| Monoisotopic Mass | 256.08212 |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 4013-06-3 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)O |
| InChIKey | PUEDDPCUCPRQNY-ZYUZMQFOSA-O |
Product Overview
D-ribosylnicotinic acid (CAS 4013-06-3), with molecular formula C11H14NO6+ and molecular weight 256.08212 g/mol. IUPAC: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxylic acid.