HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(+-)-Dihydroorotic acid
Hydroorotic acid · L-Dihydroorotate · 5,6-Dihydroorotate · DL-Dihydoorotic Acid · (RS)-HYDROOROTIC ACID · 4,5-Dihydroorotic acid · 2,6-Dioxo-1,3-diazinane-4-carboxylic acid · Hexahydro-2,6-dioxo-4-pyrimidinecarboxylic acid
Identifikatoren & physikalische Daten
| CAS No. | 155-54-4 |
|---|---|
| Summenformel | C5H6N2O4 |
| Durchschnittliche Molmasse | 158,11 g/mol |
| Monoisotopische Masse | 158,03275668 g/mol |
| SMILES | O=C1CC(C(=O)O)NC(=O)N1 |
| InChIKey | UFIVEPVSAGBUSI-UHFFFAOYSA-N |
| PubChem CID | 648 |
| ChEMBL | CHEMBL75782 |
| ChEBI | CHEBI:30865 |
| EC No. | 622-692-9 |
| DTXSID | DTXSID40861839 |
Chemische & physikalische Eigenschaften
| XLogP | -1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 95,5 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 225 |
| Physical Description | Solid |
| Collision Cross Section | 125.2 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)] |
| Schmelzpunkt | 247-249 °C |
| Dichte | 1.523±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 2.82±0.20(Predicted) |
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
DL-Dihydoorotic Acid is used in the production of orotic acid and methyl dihydroorotate (D449975). DL-Dihydoorotic Acid is one of many components used for enhancing the biosynthesis of hyaluronic acid.