HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(R)-2-((Tert-butoxycarbonyl)amino)-3-(1H-imidazol-5-YL)propanoate
Boc-D-His · BOC-D-HISTIDINE · BOC-D-HIS-OH · Nα-Boc-D-Histidine · N-α-Boc-D-histidine · n(à)-boc-d-histidine · N(a)-Boc-D-histidine · Boc-D- histidine acid
Identifikatoren & physikalische Daten
| CAS No. | 50654-94-9 |
|---|---|
| Summenformel | C11H16N3O4- |
| Durchschnittliche Molmasse | 254,26 g/mol |
| Monoisotopische Masse | 254,114081 g/mol |
| SMILES | CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] |
| InChIKey | AYMLQYFMYHISQO-MRVPVSSYSA-M |
| PubChem CID | 6992580 |
| DTXSID | DTXSID90964889 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 107 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 18 |
| Formalladung | -1 |
| Komplexität | 308 |
| Schmelzpunkt | 193-197 °C |
| Siedepunkt | 398.5°C (rough estimate) |
| Dichte | 1.275 |
| Brechungsindex | 1.5700 (estimate) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.37±0.10(Predicted) |
| Farbe | White to Off-White |
| BRN | 4196575 |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C11H17N3O4/c1-11(2,3)18-10(17)14-8(9(15)16)4-7-5-12-6-13-7/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,17)(H,15,16)/t8-/m1/s1 |
| InChIKey | AYMLQYFMYHISQO-MRVPVSSYSA-N |
| SMILES | CC(C)(C)OC(=O)N[C@H](Cc1c[nH]cn1)C(O)=O |
| CAS Datenbank | 50654-94-9 |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Zollcode | 29332900 |
| Sicherheitshinweise (S) | 24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Nα-Boc-D-histidine is an N-Boc-protected form of D-Histidine (H456015). D-Histidine is the unnatural, biologically inactive isomer of L-Histidine (H456010). D-histidine is known to inhibit cell division, and is also used by certain types of bacteria (such as Escherichia coli) as a source of L-Histidine.