HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(R)-5-oxo-2-tetrahydrofurancarboxylic acid
(R)-5-OXOTETRAHYDROFURAN-2-CARBOXYLIC ACID · 5-oxo-2-tetrahydrofurancarboxylic acid · (2R)-5-Oxotetrahydro-2-furancarboxylic acid · (R)-tetrahydro-5-oxo-2-furancarboxylic acid · (theta)-2-furancarboxylicaci · (r)-γ-carboxy-γ-butyrolactone · 5-Oxo-tetrahydro-furan-2-carboxylic · (2R)-5-Oxooxolane-2β-carboxylic acid
Identifikatoren & physikalische Daten
| CAS No. | 53558-93-3 |
|---|---|
| Summenformel | C5H6O4 |
| Durchschnittliche Molmasse | 130,1 g/mol |
| Monoisotopische Masse | 130,02660867 g/mol |
| SMILES | O=C1CC[C@H](C(=O)O)O1 |
| InChIKey | QVADRSWDTZDDGR-GSVOUGTGSA-N |
| PubChem CID | 104532 |
| EC No. | 627-375-9 |
| DTXSID | DTXSID80886061 |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 151 |
| Schmelzpunkt | 71-73 °C (lit.) |
| Siedepunkt | 165-167 °C/0.3 mmHg (lit.) |
| Dichte | 1.3985 (rough estimate) |
| Brechungsindex | 1.5800 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 3.11±0.20(Predicted) |
| BRN | 1424499 |
| InChI | InChI=1S/C5H6O4/c6-4-2-1-3(9-4)5(7)8/h3H,1-2H2,(H,7,8)/t3-/m1/s1 |
| InChIKey | QVADRSWDTZDDGR-GSVOUGTGSA-N |
| SMILES | O1C(=O)CC[C@@H]1C(O)=O |
| CAS Datenbank | 53558-93-3(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Furancarboxylic acid, tetrahydro-5-oxo-, (2R)- (53558-93-3) |
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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29321900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
(R)-5-Oxotetrahydrofuran-2-carboxylic Acid is an intermediate used to synthesize 2'',3''-dideoxy-4''-selenonucleosides as potential antiviral agents.