Showing Metabocard for pyridoxine 5'-phosphate (BASm0003574)
| Common Name | Pyridoxine 5'-phosphate | ||||||
|---|---|---|---|---|---|---|---|
| Description | Pyridoxine 5'-phosphate is a substrate for Pyridoxine-5'-phosphate oxidase and Pyridoxal kinase. | ||||||
| Structure | |||||||
| Molecular Formula | C8H12NO6P | ||||||
| Average Mass | 249.15770 | ||||||
| Monoisotopic Mass | 249.04022 | ||||||
| IUPAC Name | {[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxy}phosphonic acid | ||||||
| Traditional Name | [5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxyphosphonic acid | ||||||
| CAS Registry Number | 0447-05-02 | ||||||
| SMILES | Cc1ncc(COP(=O)([O-])[O-])c(CO)c1O | ||||||
| InChI Identifier | InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14) | ||||||
| InChI Key | WHOMFKWHIQZTHY-UHFFFAOYSA-N | ||||||
| CHEBI ID | CHEBI:58589 | ||||||
| HMDB ID | HMDB0001319 | ||||||
| Pathways |
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| State | Solid | ||||||
| Water Solubility | 9.41e+00 g/l | ||||||
| logP | -0.80 | ||||||
| logS | -1.42 | ||||||
| pKa (Strongest Acidic) | 1.74 | ||||||
| pKa (Strongest Basic) | 5.55 | ||||||
| Hydrogen Acceptor Count | 6 | ||||||
| Hydrogen Donor Count | 4 | ||||||
| Polar Surface Area | 120.11 Ų | ||||||
| Rotatable Bond Count | 4 | ||||||
| Physiological Charge | -2 | ||||||
| Formal Charge | 0 | ||||||
| Refractivity | 54.98 m³·mol⁻¹ | ||||||
| Polarizability | 21.72 |