Grundinformationen
- Standard-SMILES
O=C1CC[C@H](C(=O)O)O1- InChIKey
QVADRSWDTZDDGR-GSVOUGTGSA-N- Summenformel
- C5H6O4
- Durchschnittliche Molmasse
- 130,1 g/mol
- Monoisotopische Masse
- 130,02660867
Namen und Bezeichner
- Bevorzugter Name
- (R)-5-oxo-2-tetrahydrofurancarboxylic acid
- IUPAC
- (2R)-5-oxooxolane-2-carboxylic acid
- Englischer Name
- (R)-(-)-5-Oxotetrahydrofuran-2-carboxylic acid
- Summenformel
- C5H6O4
- Molmasse
- 130.1
Namen und Synonyme
(r)-5-oxo-2-tetrahydrofurancarboxylic acidRefChem:47276353558-93-3(R)-5-Oxotetrahydrofuran-2-carboxylic acid(R)-(-)-5-Oxotetrahydrofuran-2-carboxylic Acid(2R)-5-oxooxolane-2-carboxylic acid2-Furancarboxylic acid, tetrahydro-5-oxo-, (2R)-(R)-(-)-5-Oxotetrahydrofuran-2-carboxylicAcidMFCD00011567(R)-5-oxotetrahydrofuran-2-carboxylicacid(R)-(-)-5-Oxo-2-tetrahydrofuroic Acid(R)-(-)-gamma-Carboxy-gamma-butyrolactone
Weitere Namen anzeigen
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-butyrolactone5-Oxo-tetrahydro-furan-2-carboxylic(2R)-5-Oxooxolane-2β-carboxylic acid(R)-GAMMA-CARBOXY-GAMMA-BUTYROLACTONE
O0281(R)-(-)-5-Oxo-2-tetrahydrofurancarboxylic acid(R)-Tetrahydro-5-oxo-2-furancarboxylic Acid; (2R)-Tetrahydro-5-oxofuran-2-carboxylic Acid; (R)-(-)-5-Oxo-2-tetrahydrofurancarboxylic Acid; (R)-5-Oxo-2-tetrahydrofurancarboxylic acid; (R)-5-Oxotetrahydrofuran-2-carboxylic Acid; (R)-Tetrahydro-5-oxo-2-furancarboxylic Acid(2R)-5-oxotetrahydrofuran-2-carboxylic acidSCHEMBL122685-Furancarboxylic acid, tetrahydro-2-oxo-, (R)-(-)-DTXSID80886061QVADRSWDTZDDGR-GSVOUGTGSA-N
Datenbank-Bezeichner
- CAS
53558-93-3- PubChem CID
- 104532
- DTXSID
DTXSID80886061- EC Number
- 627-375-9
- Nikkaji
- J429.222G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,2
- Polarare Oberfläche (TPSA)
- 63,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 151
Physikochemische Eigenschaften
- Schmelzpunkt
- 71 · 71-73 °C (lit.)
- Siedepunkt
- 165 · 165-167 °C/0.3 mmHg (lit.)
- Dichte
- 1.3985 · 1.3985 (rough estimate)
- Brechungsindex
- 1.58 · 1.5800 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- solid
- pka
- 3.11 · 3.11±0.20(Predicted)
- BRN
- 1424499 · 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 · 53558-93-3(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · 2-Furancarboxylic acid, tetrahydro-5-oxo-, (2R)- (53558-93-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (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.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29321900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information2-Furancarboxylic acid, tetrahydro-5-oxo-, (2R)-: INACTIVE
Anwendungen
Verwenden(R)-5-Oxotetrahydrofuran-2-carboxylic Acid is an intermediate used to synthesize 2'',3''-dideoxy-4''-selenonucleosides as potential antiviral agents.
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