Showing Metabocard for alpha-ribazole (BASm0000217)
| Common Name | Alpha-ribazole |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C14H18N2O4 |
| Average Mass | 278.30370 |
| Monoisotopic Mass | 278.12666 |
| IUPAC Name | (2S,5R)-2-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| Traditional Name | (2s,5r)-2-(5,6-dimethyl-1,3-benzodiazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| CAS Registry Number | Not Available |
| SMILES | Cc1cc2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2cc1C |
| InChI Identifier | InChI=1S/C14H18N2O4/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(19)12(18)11(5-17)20-14/h3-4,6,11-14,17-19H,5H2,1-2H3/t11-,12-,13-,14+/m1/s1 |
| InChI Key | HLRUKOJSWOKCPP-SYQHCUMBSA-N |
| CHEBI ID | CHEBI:10329 |
| MiMeDB ID | MMDBc0054343 |
| State | Expected Solid |
| Water Solubility | 4.03e+00 g/l |
| logP | 0.35 |
| logS | -1.84 |
| pKa (Strongest Acidic) | 12.46 |
| pKa (Strongest Basic) | 6.00 |
| Hydrogen Acceptor Count | 5 |
| Hydrogen Donor Count | 3 |
| Polar Surface Area | 87.74 Ų |
| Rotatable Bond Count | 2 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 71.65 m³·mol⁻¹ |
| Polarizability | 29.38 |