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Uridine
Uridine · 1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxyMethyl)tetrahydrofuran-2-yl)pyriMidine-2,4(1H,3H)-dione · UR · URACIL RIBOSIDE · URD · Uridin · beta-Uridine · URACIL-1-BETA-D-RIBOFURANOSIDE

Identifikatoren & physikalische Daten
| CAS No. | 58-96-8 |
|---|---|
| Summenformel | C9H12N2O6 |
| Durchschnittliche Molmasse | 244,2 g/mol |
| Monoisotopische Masse | 244,0695361 g/mol |
| SMILES | O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 |
| InChIKey | DRTQHJPVMGBUCF-XVFCMESISA-N |
| PubChem CID | 6029 |
| ChEMBL | CHEMBL100259 |
| ChEBI | CHEBI:16704 |
| EC No. | 200-407-5 |
| DTXSID | DTXSID40891555 |
Chemische & physikalische Eigenschaften
| XLogP | -2 |
|---|---|
| Polarare Oberfläche (TPSA) | 119 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 370 |
| Stoffklassen | Biological Agents -> Nucleic Acids and Derivatives |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Crystal structure |
| LogP (Verteilungskoeffizient) | -1.98 |
| Löslichkeit | 34.9 [ug/mL] (The mean of the results at pH 7.4)H2O: 50 mg/mLSoluble in water, dimethylsulfoxide, and methanol. |
| Schmelzpunkt | 163 °C163-167 °C(lit.) |
| Optical Rotation | (c = 2, H2O) [a]20 D = 9.4 ± 2° |
| Physical Description | Solid[Merck Index] White powder[Alfa Aesar MSDS] |
| Collision Cross Section | 160.1 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]152 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine]150.7 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]166 Ų [M+Na]+ [CCS Type: DTMethod: stepped-field]152 Ų [M-H]- |
| Siedepunkt | 387.12°C (rough estimate) |
| Dichte | 1.4221 (rough estimate) |
| Brechungsindex | 9 ° (C=2, H2O) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | powder |
| pKa (Säurekonstante) | 9.39±0.10(Predicted) |
| Farbe | White to almost white |
| pH | 9.05 |
| Biologische Quelle | synthetic (organic) |
| Merck | 14,9877 |
| BRN | 754904 |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN PROTECTINGSKIN CONDITIONING |
| InChI | 1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1 |
| InChIKey | DRTQHJPVMGBUCF-XVFCMESISA-N |
| SMILES | OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O |
| LogP (Verteilungskoeffizient) | -1.581 (est) |
| CAS Datenbank | 58-96-8(CAS DataBase Reference) |
| NIST chemische Informationen | Uridine(58-96-8) |
| EPA chemische Informationen | Uridine (58-96-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 85.7% (12 of 14) of all reports.WarningH315 (14.3%): 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 14 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: UridineStatus: Active Update: 12-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31621Uridine: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Gefahrenübersicht | Causes somnolence, other liver changes, effects on transaminases, and inflammation in acute intraperitoneal studies of mice and rats[RTECS] May cause irritation[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (14.3%) |
| Toxicity Data | Mouse(ip): LD50 4335 mg/kg |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29335990 |
| RTECS-Nr. | YR1450000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Keep Cold |
| Sicherheitshinweise (S) | 24/25-36-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Uridine is a nucleoside, contains a uracil attached to a ribose ring via a β-N1-glycosidic bond