Showing Metabocard for pyridoxine (BASm0000710)
| Common Name | Pyridoxine | ||||||
|---|---|---|---|---|---|---|---|
| Description | true | ||||||
| Structure | |||||||
| Molecular Formula | C8H11NO3 | ||||||
| Average Mass | 169.17780 | ||||||
| Monoisotopic Mass | 169.07389 | ||||||
| IUPAC Name | 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol | ||||||
| Traditional Name | Pyridoxine | ||||||
| CAS Registry Number | 65-23-6 | ||||||
| SMILES | Cc1ncc(CO)c(CO)c1O | ||||||
| InChI Identifier | InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3 | ||||||
| InChI Key | LXNHXLLTXMVWPM-UHFFFAOYSA-N | ||||||
| CHEBI ID | CHEBI:16709 | ||||||
| HMDB ID | HMDB0000239 | ||||||
| Pathways |
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| State | Not Available | ||||||
| Water Solubility | 1.61e+01 g/l | ||||||
| logP | -0.57 | ||||||
| logS | -1.02 | ||||||
| pKa (Strongest Acidic) | 9.40 | ||||||
| pKa (Strongest Basic) | 5.58 | ||||||
| Hydrogen Acceptor Count | 4 | ||||||
| Hydrogen Donor Count | 3 | ||||||
| Polar Surface Area | 73.58 Ų | ||||||
| Rotatable Bond Count | 2 | ||||||
| Physiological Charge | 0 | ||||||
| Formal Charge | 0 | ||||||
| Refractivity | 44.11 m³·mol⁻¹ | ||||||
| Polarizability | 17.11 |