Grundinformationen
- Standard-SMILES
CCC(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C- InChIKey
ZMRFZBKROHCLIL-BXKDBHETSA-N- Summenformel
- C13H15NO3
- Durchschnittliche Molmasse
- 233,26 g/mol
- Monoisotopische Masse
- 233,10519334
Namen und Bezeichner
- Bevorzugter Name
- (4R,5S)-4-Methyl-5-phenyl-3-propionyl-2-oxazolidinone
- IUPAC
- (4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one
- Englischer Name
- N-PROPIONYL-(4S,5R)-4-METHYL- 5-PHENYL-2-OXAZOLIDINONE
- Summenformel
- C13H15NO3
- Molmasse
- 233.26
Namen und Synonyme
77877-20-4(4R,5S)-4-Methyl-5-phenyl-3-propionyl-2-oxazolidinoneDTXSID80357428RefChem:209195DTXCID50308487MFCD00043400(4R,5S)-4-Methyl-5-phenyl-3-propionyloxazolidin-2-one(4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-oneN-PROPIONYL-(4S,5R)-4-METHYL- 5-PHENYL-2-OXAZOLIDINONE2-Oxazolidinone, 4-methyl-3-(1-oxopropyl)-5-phenyl-, (4R,5S)-(4R,5S)-4-Methyl-5-phenyl-3-propanoyl-oxazolidin-2-oneSCHEMBL4189485
Weitere Namen anzeigen
(4R,5S)-4-Methyl-5-phenyl-3-propionyl-2-oxazolidinone3-Propionyl-4α-methyl-5α-phenyloxazolidine-2-one3-Propanoyl-4α-methyl-5α-phenyloxazolidine-2-one(4R,5S)-4-Methyl-5-phenyl-3-propionyl-2-oxazolidine(4R)-3-Propionyl-4α-methyl-5α-phenyloxazolidine-2-oneN-PROPIONYL-(4R,5S)-4-METHYL- 5-PHENYL-2-OXAZOLIDINONE
ZMRFZBKROHCLIL-BXKDBHETSA-NAKOS017343738AS-31151SY012056DB-075381F386791(4R,5S)-4-Methyl-5-phenyl-3-propionyl-2-oxazolidinone, >=97.0% (sum of enantiomers, GC)
Datenbank-Bezeichner
- CAS
77877-20-4- PubChem CID
- 853442
- DTXSID
DTXSID80357428- Nikkaji
- J307.951A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 46,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 310
Physikochemische Eigenschaften
- Schmelzpunkt
- 96 · 96-97 °C
- Siedepunkt
- 394.4 · 394.4±31.0 °C(Predicted)
- Dichte
- 1.161 g/mL · 1.161 g/mL at 20 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.530
- Flammpunkt
- 109 ℃ · 109℃
- storage temp.
- 2 · 2-8°C
- pka
- -2.8 · -2.80±0.60(Predicted)
- InChI
- 1S/C13H15NO3/c1-3-11(15)14-9(2)12(17-13(14)16)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3/t9-,12-/m1/s1
- InChIKey
- ZMRFZBKROHCLIL-BXKDBHETSA-N
- SMILES
- CCC(=O)N1[C@H](C)[C@@H](OC1=O)c2ccccc2
Sicherheit und Regulatorisches
Sicherheitsdaten
- F
- 10
- wgk
- 3
- safety_code
- 23-24/25
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Anwendungen
Verwenden(4R,5S)-4-Methyl-5-phenyl-3-propionyl-2-oxazolidinone is used as a reactant in the synthesis of Lactimidomycin, a potent translation and cell migration inhibitor.
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