Pyridoxal 5'-phosphate hydrate - CAS 853645-22-4
Catalog: |
BB037598 |
Product Name: |
Pyridoxal 5'-phosphate hydrate |
CAS: |
853645-22-4 |
Synonyms: |
(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate;hydrate |
IUPAC Name: | (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate |
Description: | Pyridoxal 5'-phosphate hydrate is a vitamin B6 phosphate. |
Molecular Weight: | 247.14 (anhydrous basis) |
Molecular Formula: | C8H10NO6P · xH2O |
Canonical SMILES: | CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O.O |
InChI: | InChI=1S/C8H10NO6P.H2O/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14;/h2-3,11H,4H2,1H3,(H2,12,13,14);1H2 |
InChI Key: | CEEQUQSGVRRXQI-UHFFFAOYSA-N |
Boiling Point: | 565.746 ℃ at 760 mmHg |
Melting Point: | 140-143 ℃ |
Flash Point: | 295.952ºC |
Purity: | 95 % |
Density: | 1.638 g/cm3 |
Solubility: | Appreciable |
Appearance: | Off-white to beige crystalline powder |
LogP: | 0.51740 |
Publication Number | Title | Priority Date |
US-10980756-B1 | Methods of treatment | 20200316 |
EP-3839054-A1 | Production of fructose from oligo- and/or polysaccharides | 20191220 |
WO-2021123436-A1 | Production of fructose from oligo-/ and/or polysaccharides | 20191220 |
WO-2021125896-A1 | Mutant of inner membrane protein, and method for producing target product by using same | 20191220 |
WO-2021127701-A1 | Pet food compositions | 20191219 |
PMID | Publication Date | Title | Journal |
31196984 | 20190614 | Discovery and inhibition of an interspecies gut bacterial pathway for Levodopa metabolism | Science (New York, N.Y.) |
28716455 | 20171001 | The vitamin B6 paradox: Supplementation with high concentrations of pyridoxine leads to decreased vitamin B6 function | Toxicology in vitro : an international journal published in association with BIBRA |
28685903 | 20170901 | The structure of RbmB from Streptomyces ribosidificus, an aminotransferase involved in the biosynthesis of ribostamycin | Protein science : a publication of the Protein Society |
28594172 | 20170713 | Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis | Journal of medicinal chemistry |
27387750 | 20161201 | Serine racemase is involved in d-aspartate biosynthesis | Journal of biochemistry |
Complexity: | 292 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.02457404 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.02457404 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 117 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.1 |
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