(S)-(+)-gamma-Hydroxymethyl-gamma-butyrolactone
Grundinformationen
- CAS
32780-06-6- Standard-SMILES
O=C1CC[C@@H](CO)O1- InChIKey
NSISJFFVIMQBRN-BYPYZUCNSA-N- Summenformel
- C5H8O3
- Durchschnittliche Molmasse
- 116,11 g/mol
- Monoisotopische Masse
- 116,04734412
Überblick
See also: (5R)-Dihydro-5-(hydroxymethyl)-2(3H)-furanone (annotation moved to).
Namen und Bezeichner
- Bevorzugter Name
- (S)-(+)-gamma-Hydroxymethyl-gamma-butyrolactone
- IUPAC
- (5S)-5-(hydroxymethyl)oxolan-2-one
- Englischer Name
- (S)-5-Hydroxymethyldihydrofuran-2-one
- Summenformel
- C5H8O3
- Molmasse
- 116.12
Namen und Synonyme
(S)-(+)-gamma-Hydroxymethyl-gamma-butyrolactoneRefChem:407632680-050-332780-06-6(s)-5-(hydroxymethyl)dihydrofuran-2(3h)-one(5S)-5-(hydroxymethyl)oxolan-2-one(S)-(+)-Dihydro-5-(hydroxymethyl)furanone(s)-5-hydroxymethyldihydrofuran-2-one(S)-(+)-Dihydro-5-(hydroxymethyl)-2(3H)-furanoneMFCD00066224(S)-(+)-5-Hydroxymethyltetrahydro-2-furanone(S)-(+)-4,5-Dihydro-5-hydroxymethyl-2(3H)-furanone
Weitere Namen anzeigen
5-(Hydroxymethyl)dihydro-2(3H)-furanone(S)-(+)-γ-Hydroxymethyl-γ(S)-Gamma-Hydroxymethyl-Gamma(s)-γ-hydroxymethyl-γ-butyrolactone(S)-5-Hydroxymethyldihydrofuran-2-on(S)-(+)-G-HYDROXYMETHYL-G-BUTYROLACTONE(S)-5-HYDROXYMETHYL-DIHYDRO-FURAN-2-ONE
(s)-5-(hydroxymethyl)-dihydrofuran-2(3h)-one(5S)-(+)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one(S)-(+)-2',3'-Dideoxyribonolactone(s)-4-hydroxymethyl butyrolactone2(3H)-Furanone, dihydro-5-(hydroxymethyl)-, (5S)-5-(Hydroxymethyl)dihydro-2(3H)-furanone #(S)-5-Hydroxymethyl-2-oxotetrahydrofuran(S)-4,5-Dihydro-5-hydroxymethyl-2(3H)-furanone
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,4
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 99,8
Physikochemische Eigenschaften
- Schmelzpunkt
- 72 · 72-74 °C
- Siedepunkt
- 110 · 110-115 °C/0.2 mmHg (lit.)
- Dichte
- 1.237 g/mL · 1.237 g/mL at 25 °C (lit.)
- Brechungsindex
- 1.47 · 1.47
- Flammpunkt
- 113 °C · 113 °C - closed cup
- storage temp.
- 2 · 2-8°C
- pka
- 14.12 · 14.12±0.10(Predicted)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- BRN
- 1680284 · 1680284
- InChI
- 1S/C5H8O3/c6-3-4-1-2-5(7)8-4/h4,6H,1-3H2/t4-/m0/s1
- InChIKey
- NSISJFFVIMQBRN-BYPYZUCNSA-N
- SMILES
- OC[C@@H]1CCC(=O)O1
- CAS Datenbank
- 32780 · 32780-06-6(CAS DataBase Reference)
- NIST chemische Informationen
- -2 · (S)-(+)-2',3'-dideoxyribonolactone(32780-06-6)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (94.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 19 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (94.7%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29322090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 23-24/25-37/39-26
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Anwendungen
Verwenden(S)-(+)-Dihydro-5-(hydroxymethyl)-2(3H)-furanone can be used as a chiral synthon to synthesize:Potent nucleoside, acetylcholine, and (+)-muricatacin analogs.Mevinic acids, which are LDL cholesterol-lowering agents.Adenine based anti-HIV agent named β-F-ddA.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
20
Notizen zur Verbindung
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