HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)uracil
2-FdU · 2′-Deoxy-2′-fluorouridine · 2'-FU · 2'-FUDR · 2'-F-2'-dU · Fioluridine · -Fluoro-2'2'-FLUORO-D-URIDINE · 2'-Fluoro-2'-deoxyur
Identifikatoren & physikalische Daten
| CAS No. | 784-71-4 |
|---|---|
| Summenformel | C9H11FN2O5 |
| Durchschnittliche Molmasse | 246,19 g/mol |
| SMILES | O=c1ccn(C2OC(CO)C(O)C2F)c(=O)[nH]1 |
| InChIKey | UIYWFOZZIZEEKJ-UHFFFAOYSA-N |
| PubChem CID | 352500 |
| ChEMBL | CHEMBL26330 |
Chemische & physikalische Eigenschaften
| XLogP | -1 |
|---|---|
| Polarare Oberfläche (TPSA) | 99,1 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 374 |
| Schmelzpunkt | 147.0 to 153.0 °C |
| Dichte | 1.63±0.1 g/cm3(Predicted) |
| Brechungsindex | 53 ° (C=0.3, H2O) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Soluble in methanol.soluble in water |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 9.39±0.10(Predicted) |
| Farbe | White to Off-white |
| InChI | InChI=1S/C9H11FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3H2,(H,11,14,16)/t4-,6-,7-,8-/m1/s1 |
| InChIKey | UIYWFOZZIZEEKJ-XVFCMESISA-N |
| SMILES | OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@H](F)[C@@H]1O |
| CAS Datenbank | 784-71-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Zollcode | 29389090 |
|---|---|
| R-Sätze (R) | 20/21/22-40 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 22-36/37/39 |
Anwendungen & Verwendung
Verwenden
2'-Fluoro-2'-deoxyuridine is used as a component incorporated into therapeutic oligonucleotides to combat prostate and breast cancer.