CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White powder; [Alfa Aesar MSDS] |
|---|---|
| Melting Point | 159-162 °C |
| Solubility | 220000 mg/L |
| Vapor Pressure | 0.00000028 [mmHg] |
| LogP | -0.77 |
| Ionization Efficiency | Positive |
| Collision Cross Section | 134.6 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Chemical Classes | Biological Agents -> Vitamins and Derivatives |
COMPUTED DESCRIPTORS
| Molecular Weight | 169.18 g/mol |
|---|---|
| XLogP3 | -0.8 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 169.07389321 g/mol |
| Monoisotopic Mass | 169.07389321 g/mol |
| Topological Polar Surface Area | 73.6 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 142 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Pyridoxine is a hydroxymethylpyridine with hydroxymethyl groups at positions 4 and 5, a hydroxy group at position 3 and a methyl group at position 2. The 4-methanol form of vitamin B6, it is converted intoto pyridoxal phosphate which is a coenzyme for synthesis of amino acids, neurotransmitters, sphingolipids and aminolevulinic acid. It has a role as a cofactor, a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a monohydroxypyridine, a vitamin B6, a member of methylpyridines and a hydroxymethylpyridine.