HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pyridoxaminphosphat
hate) · phate) · pyridoxamine-p · pyridoxaminephosphate · Pyridoxamine-5'-phosphate · ZMJGSOSNSPKHNH-ISOYWZQTSA-N · PyridoxaMine-d4-5'-phosphate · Pyridoxamine 5'-phosphoric acid
Identifikatoren & physikalische Daten
| CAS No. | 529-96-4 |
|---|---|
| Summenformel | C8H13N2O5P |
| Durchschnittliche Molmasse | 248,17 g/mol |
| Monoisotopische Masse | 248,05620815 g/mol |
| SMILES | Cc1ncc(COP(=O)(O)O)c(CN)c1O |
| InChIKey | ZMJGSOSNSPKHNH-UHFFFAOYSA-N |
| PubChem CID | 1053 |
| ChEMBL | CHEMBL1235353 |
| ChEBI | CHEBI:18335 |
| EC No. | 208-471-6 |
| DTXSID | DTXSID3046825 |
| Lokaler Name | Pyridoxaminphosphat |
Chemische & physikalische Eigenschaften
| XLogP | -4,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 126 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 271 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Physical Description | Solid |
| Collision Cross Section | 150.9 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)] |
| Siedepunkt | 607.3±65.0 °C(Predicted) |
| Dichte | 1.559±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | pKa 8.61(H2O t = 25 I = 0.15)(Approximate) |
| Aggregatzustand | Solid |
| Farbe | White to yellow |
| BRN | 233653 |
| InChI | 1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14) |
| InChIKey | ZMJGSOSNSPKHNH-UHFFFAOYSA-N |
| SMILES | Cc1ncc(COP(O)(O)=O)c(CN)c1O |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 3-10 |
| Wassergefährdungsklasse (WGK) | 2 |
| RTECS-Nr. | UT4710000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Pyridoxamine-5''-phosphate is a chromophore that plays a crucial role in the biosynthesis of deoxysugars (e.g. 2-Deoxy-2-chloro-D-glucose [D232570]). Pyridoxamine-5''-phosphate is naturally found in rat liver.