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N-[(Benzyloxy)carbonyl]-L-threonin
Z-THR-OH · CBZ-THR-OH · Z-Thr · Z-L-THREONINE · N-CARBOBENZOXY-L-THREONINE · Z-L-Thr · Cbz-Thr · Z-L-THR-OH
![Molekülstruktur von N-[(Benzyloxy)carbonyl]-L-threonin](/img/chemical/88217.png)
Identifikatoren & physikalische Daten
| CAS No. | 19728-63-3 |
|---|---|
| Summenformel | C12H15NO5 |
| Durchschnittliche Molmasse | 253,25 g/mol |
| Monoisotopische Masse | 253,09502258 g/mol |
| SMILES | C[C@@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)O |
| InChIKey | IPJUIRDNBFZGQN-SCZZXKLOSA-N |
| PubChem CID | 88217 |
| EC No. | 243-258-1 |
| DTXSID | DTXSID50173394 |
| Lokaler Name | N-[(Benzyloxy)carbonyl]-L-threonin |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 95,9 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 288 |
| Schmelzpunkt | 101-103 °C(lit.) |
| Siedepunkt | 396.45°C (rough estimate) |
| Dichte | 1.2499 (rough estimate) |
| Brechungsindex | -4.9 ° (C=2, AcOH) |
| Lagerbedingungen | Sealed in dry,Store in freezer, under -20°C |
| Löslichkeit | almost transparency in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 3.58±0.10(Predicted) |
| Farbe | White to Almost white |
| BRN | 2335409 |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)/t8-,10+/m1/s1 |
| InChIKey | IPJUIRDNBFZGQN-SCZZXKLOSA-N |
| SMILES | C[C@@H](O)[C@H](NC(=O)OCc1ccccc1)C(O)=O |
| CAS Datenbank | 19728-63-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | Not Classified |
|---|---|
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29242990 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 22-24/25-36-26 |
| Lagerklasse | 13 - Non Combustible Solids |
Anwendungen & Verwendung
Verwenden
N-Cbz-L-threonine is an N-Cbz-protected form of L-Threonine (T405500). L-Threonine is an essential amino acid that is commonly used as a feed and food additive. L-Threonine is produced in mass quantities by mutant Escherichia coli strains for research and food nutrition purposes. L-Threonine can be naturally found in fish and poultry, and is incorporated in some important proteins in the human body (such as hemoglobin and insulin).