HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Uridin-5'-(dihydrogenphosphat)
URIDYLIC ACID · uridinemonophosphate · ((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyriMidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)Methyl dihydrogen phosphate · UMP-H · 5’-ump · UMP.H2 · URIDINE-5'-PHOSPHATE · Uridine Monophospahte

Identifikatoren & physikalische Daten
| CAS No. | 58-97-9 |
|---|---|
| Summenformel | C9H13N2O9P |
| Durchschnittliche Molmasse | 324,18 g/mol |
| Monoisotopische Masse | 324,03586663 g/mol |
| SMILES | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 |
| InChIKey | DJJCXFVJDGTHFX-XVFCMESISA-N |
| PubChem CID | 6030 |
| ChEMBL | CHEMBL214393 |
| ChEBI | CHEBI:16695 |
| EC No. | 200-408-0 |
| DTXSID | DTXSID20883211 |
| Lokaler Name | Uridin-5'-(dihydrogenphosphat) |
Chemische & physikalische Eigenschaften
| XLogP | -3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 166 |
| H-Brücken-Donoren | 5 |
| H-Brücken-Akzeptoren | 9 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 517 |
| Stoffklassen | Biological Agents -> Nucleic Acids and Derivatives |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Angular frequency |
| Physical Description | Solid[Sigma-Aldrich MSDS] |
| Collision Cross Section | 169.81 Ų [M+H]+ [CCS Type: DTMethod: stepped-field]171.8 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]168 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine]165.7 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]164.1 Ų [M-2H+Na]- |
| Schmelzpunkt | 202°C (rough estimate) |
| Dichte | 1.865±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20°C |
| Löslichkeit | H2O: soluble50mg/mL, clear, colorlessH2O: soluble 50mg/mL, clear, colorless |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | pK1:6.63 (25°C) |
| Farbe | White to Off-White |
| Biologische Quelle | natural (organic) |
| InChI | InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 |
| InChIKey | DJJCXFVJDGTHFX-XVFCMESISA-N |
| SMILES | P(OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@H](O)[C@@H]1O)(O)(O)=O |
| CAS Datenbank | 58-97-9 |
| EPA chemische Informationen | 5'-Uridylic acid (58-97-9) |
Sicherheit & Vorschriften
| Regulatorische Informationen | 5'-Uridylic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
|---|---|
| Gefahrenübersicht | Intraperitoneal lethal-dose (mouse) > 1,000 mg/kg[RTECS] |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29349990 |
| RTECS-Nr. | YU8088000 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Biochemical research.