Pyridoxal (Standard)

Chemical Information
Pyridoxal is a pyridinecarbaldehyde that is pyridine-4-carbaldehyde bearing methyl, hydroxy and hydroxymethyl substituents at positions 2, 3 and 5 respectively. The 4-carboxyaldehyde form of vitamin B6, it is converted into pyridoxal phosphate, a coenzyme for the synthesis of amino acids, neurotransmitters, sphingolipids and aminolevulinic acid. It has a role as a cofactor, a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is a member of methylpyridines, a vitamin B6, a monohydroxypyridine, a pyridinecarbaldehyde and a hydroxymethylpyridine. It is a conjugate base of a pyridoxal(1+).
| CAS Number | 66-72-8 |
| PubChem CID | 1050 |
| IUPAC Name | 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde |
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.16 |
| XLogP | 0 |
| Topological Polar Surface Area | 70.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 162 |
| Property | Value |
|---|---|
| Molecular Weight | 167.16 |
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 167.058243149 |
| Monoisotopic Mass | 167.058243149 |
| Topological Polar Surface Area | 70.4 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 162 |
| 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 |
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