HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(4S)-4-(((tert-butoxy)carbonyl)amino)-5-methoxy-5-oxopentanoic acid
BOC-L-GLU-OME · Boc-L-Glutamic Acid 5-Methyl Ester · BOC-L-GLUTAMIC ACID METHYL ESTER · Boc-Glu-OMe · BOC-GLUTAMIC ACID-OME · BOC-GLU-OME USP/EP/BP · (Tert-Butoxy)Carbonyl Glu-OMe · Boc-L-glutamicacida-methylester
Identifikatoren & physikalische Daten
| CAS No. | 72086-72-7 |
|---|---|
| Summenformel | C11H19NO6 |
| Durchschnittliche Molmasse | 261,27 g/mol |
| Monoisotopische Masse | 261,12123733 g/mol |
| SMILES | COC(=O)[C@H](CCC(=O)O)NC(=O)OC(C)(C)C |
| InChIKey | ZAYAFKXUQMTLPL-ZETCQYMHSA-N |
| PubChem CID | 7018754 |
| EC No. | 873-236-2 |
| DTXSID | DTXSID60427017 |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 102 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 320 |
| Schmelzpunkt | 119-123℃ |
| Siedepunkt | 428.4±40.0 °C(Predicted) |
| Dichte | 1.182±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.48±0.10(Predicted) |
| Farbe | Off-White to Light Yellow |
| InChI | InChI=1S/C11H19NO6/c1-11(2,3)18-10(16)12-7(9(15)17-4)5-6-8(13)14/h7H,5-6H2,1-4H3,(H,12,16)(H,13,14)/t7-/m0/s1 |
| InChIKey | ZAYAFKXUQMTLPL-ZETCQYMHSA-N |
| SMILES | C(OC)(=O)[C@H](CCC(O)=O)NC(OC(C)(C)C)=O |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
N-Boc-L-glutamic Acid α-Methyl Ester is a glutamate derivative that undergoes vitamin K-dependent carboxylation in liver microsomes.