5-Hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridylmethyldihydrogenphosphat
pyridoxine 5'-phosphate · Vitamin B6,P5P · Pyridoxol 5'-Phosphate · Pyridoxine impurity 81 · Pyridoxol 5'-Phosphate >Pyridoxol 5'-Phosphate >90% · Pyridoxine 5'-phosphoric acid · 5-Hydroxy-6-methylpyridine-3,4-dimethanol 3-phosphoric acid · 5-Hydroxy-6-methyl-3,4-pyridinedimethanol 3-phosphoric acid
Identifikatoren & physikalische Daten
| CAS No. | 447-05-2 |
|---|---|
| Summenformel | C8H12NO6P |
| Durchschnittliche Molmasse | 249,16 g/mol |
| Monoisotopische Masse | 249,04022373 g/mol |
| SMILES | Cc1ncc(COP(=O)(O)O)c(CO)c1O |
| InChIKey | WHOMFKWHIQZTHY-UHFFFAOYSA-N |
| PubChem CID | 1055 |
| ChEBI | CHEBI:28803 |
| EC No. | 207-179-6 |
| DTXSID | DTXSID80196278 |
| Lokaler Name | 5-Hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridylmethyldihydrogenphosphat |
Chemische & physikalische Eigenschaften
| XLogP | -1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 120 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 269 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Physical Description | Solid |
| Collision Cross Section | 150.5 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)] |
| Schmelzpunkt | 210-211 °C |
| Siedepunkt | 638.5±65.0 °C(Predicted) |
| Dichte | 1.628±0.06 g/cm3(Predicted) |
| Löslichkeit | Water (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 1.62±0.10(Predicted) |
| Farbe | White to Off-White |
| Stabilität | Hygroscopic |
| InChI | InChI=1S/C8H13NO7P/c1-5-7(12)6(2-10)8(4-11,3-9-5)16-17(13,14)15/h3,10-12H,2,4H2,1H3,(H2,13,14,15) |
| InChIKey | CGTLISPCXZSQJV-UHFFFAOYSA-N |
| SMILES | C1=NC(C)=C(O)C(CO)=C1(OP(O)(O)=O)CO |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Eye Irrit. 2 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H319 |
Anwendungen & Verwendung
Beschreibung
Pyridoxol 5′-Phosphate is an important biological reagent that can be used to act as a coenzyme in enzymatic reactions and is involved in transamination, decarboxylation and racemisation of amino acids. It is used in studies related to amino acid metabolism. In addition, it is also central to neurotransmitter biosynthesis studies and is involved in the conversion of amino acids into neurotransmitter molecules. Pyridoxal 5′-phosphate can be used to explore the mechanism of aldehyde group transfer and the formation of enzyme-substrate complexes.
Verwenden
Pyridoxol 5'-phosphate is a vitamer of Vitamin B6 complex (P991715), an enzyme cofactor in many reactions of amino acid metabolism.