HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benzyl (3S,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
cis-1-Cbz-4-fluoropiperidin-3-ol · benzyl (3S,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate · benzyl (3R,4S)-rel-4-fluoro-3-hydroxypiperidine-1-carboxylate · rel-Benzyl (3R,4S)-4-fluoro-3-hydroxy-1-piperidinecarboxylate · Cis-4-Fluoro-3-Hydroxy-Piperidine-1-Carboxylic Acid Benzyl Ester · rel-Phenylmethyl (3R,4S)-4-fluoro-3-hydroxy-1-piperidinecarboxylate · Cis-4-Fluoro-3-Hydroxy-Piperidine-1-Carboxylic Acid Benzyl Ester(WX642085) · (3R,4S)-rel-4-Fluoro-3-hydroxy-1-piperidinecarboxylic acid phenylmethyl ester
Identifikatoren & physikalische Daten
| CAS No. | 1207853-10-8 |
|---|---|
| Summenformel | C13H16FNO3 |
| Durchschnittliche Molmasse | 253,27 g/mol |
| Monoisotopische Masse | 253,11142153 g/mol |
| SMILES | O=C(OCc1ccccc1)N1CC[C@@H](F)[C@@H](O)C1 |
| InChIKey | HNBFJUNWIWJEJJ-NEPJUHHUSA-N |
| PubChem CID | 40152155 |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 281 |
| Siedepunkt | 393.380±42.00 °C(Press: 760.00 Torr)(predicted) |
| Dichte | 1.26 |
| Lagerbedingungen | Store at room temperature |
| pKa (Säurekonstante) | 13.570±0.40(predicted) |