Grundinformationen
- Standard-SMILES
O=C1CC[C@@H](C(=O)O)O1- InChIKey
QVADRSWDTZDDGR-VKHMYHEASA-N- Summenformel
- C5H6O4
- Durchschnittliche Molmasse
- 130,1 g/mol
Überblick
(S)-alpha-hydroxyglutaric acid-gamma-lactone is a butan-4-olide obtained by formal intramolecular condensation between the 2-hydroxy and 4-carboxy groups of (S)-2-hydroxyglutaric acid. It is a butan-4-olide and a monocarboxylic acid. It is functionally related to a (S)-2-hydroxyglutaric acid. It is a conjugate acid of a (S)-alpha-hydroxyglutarate-gamma-lactone.
Namen und Bezeichner
- Bevorzugter Name
- (2S)-5-oxooxolane-2-carboxylic acid
- IUPAC
- (2S)-5-oxooxolane-2-carboxylic acid
Namen und Synonyme
(2S)-5-oxooxolane-2-carboxylic acid2-Furancarboxylic acid, tetrahydro-5-oxo-, (2S)-RefChem:398663626-322-721461-84-7(S)-5-oxotetrahydrofuran-2-carboxylic acid(S)-(+)-5-Oxo-2-tetrahydrofurancarboxylic acid(S)-5-oxo-tetrahydrofuran-2-carboxylic acid(s)-5-oxo-2-tetrahydrofurancarboxylic acid(S)-(+)-5-Oxotetrahydrofuran-2-carboxylic AcidMFCD00064516(2S)-5-oxotetrahydrofuran-2-carboxylic acid
Weitere Namen anzeigen
SCHEMBL12219(S)-(+)-5-Oxo-2-tetrahydrofuroic Acid(S)-alpha-hydroxyglutaric acid-gamma-lactoneAKOS015856023(S)-(+)-gamma-Carboxy-gamma-butyrolactone(S)-tetrahydro-5-oxo-2-furancarboxylic acidO0276(S)-(+)-5-Oxo-2-tetrahydrofurancarboxylicacid
Datenbank-Bezeichner
- CAS
21461-84-7- PubChem CID
- 636468
- ChEBI
CHEBI:73677- EC Number
- 626-322-7
- Nikkaji
- J27.220E
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
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
Regulatory Information2-Furancarboxylic acid, tetrahydro-5-oxo-, (2S)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Zugehörige Reaktionen
25
Verknüpfte Notizen
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