HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Acetylserine
N-Acetylserine · N-Ac-L-Ser-OH · N-Acetyl-L-serine · N-α-Acetyl-L-serine · L-Serine, N-acetyl- · (S)-2-AcetaMido-3-hydroxypropanoic acid · (2S)-2-acetamido-3-hydroxy-propanoic acid
Identifikatoren & physikalische Daten
| CAS No. | 16354-58-8 |
|---|---|
| Summenformel | C5H9NO4 |
| Durchschnittliche Molmasse | 147,13 g/mol |
| Monoisotopische Masse | 147,05315777 g/mol |
| SMILES | CC(=O)N[C@@H](CO)C(=O)O |
| InChIKey | JJIHLJJYMXLCOY-BYPYZUCNSA-N |
| PubChem CID | 65249 |
| ChEBI | CHEBI:45441 |
| DTXSID | DTXSID30167615 |
Chemische & physikalische Eigenschaften
| XLogP | -1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 86,6 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 145 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 207.6 °C207.6℃ |
| Physical Description | Solid |
| Collision Cross Section | 127.2 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)] |
| Siedepunkt | 468.4±40.0 °C(Predicted) |
| Dichte | 1.343±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly, Sonicated), Methanol (Sparingly), Water (Sparingly) |
| pKa (Säurekonstante) | 3.27±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Off-White to Beige |
| Stabilität | Hygroscopic |
| InChI | InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1 |
| InChIKey | JJIHLJJYMXLCOY-BYPYZUCNSA-N |
| SMILES | C(O)(=O)[C@H](CO)NC(C)=O |