Pyridoxamine 5′-phosphate

Chemical Information
Pyridoxamine 5'-phosphate is a vitamin B6 phosphate that is the phosphoric ester derivative of pyridoxamine. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is a member of methylpyridines, a vitamin B6 phosphate, a monohydroxypyridine and an aminoalkylpyridine. It is functionally related to a pyridoxamine. It is a conjugate acid of a pyridoxamine 5'-phosphate(1-).
| CAS Number | 529-96-4 |
| PubChem CID | 1053 |
| IUPAC Name | [4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate |
| Molecular Formula | C8H13N2O5P |
| Molecular Weight | 248.17 |
| XLogP | -4.4 |
| Topological Polar Surface Area | 126 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 271 |
| Property | Value |
|---|---|
| Molecular Weight | 248.17 |
| XLogP3 | -4.4 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 248.05620852 |
| Monoisotopic Mass | 248.05620852 |
| Topological Polar Surface Area | 126 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 271 |
| 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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