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(2R,3S)-2-(((tert-butoxy)carbonyl)amino)-3-hydroxybutanoic acid
BOC-D-THR · N-Boc-L-threonine · BOC-D-THR-OH · BOC-D-THREONINE · BOC-D-THR-OH USP/EP/BP · N-ALPHA-T-BOC-D-THREONINE · BOC-D-THREONINE extrapure · Boc-D-threonine≥ 98% (HPLC)
Identifikatoren & physikalische Daten
| CAS No. | 55674-67-4 |
|---|---|
| Summenformel | C9H17NO5 |
| Durchschnittliche Molmasse | 219,23 g/mol |
| Monoisotopische Masse | 219,11067264 g/mol |
| SMILES | C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)O |
| InChIKey | LLHOYOCAAURYRL-NTSWFWBYSA-N |
| PubChem CID | 6992541 |
| EC No. | 834-870-5 |
| DTXSID | DTXSID501257532 |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 95,9 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 245 |
| Schmelzpunkt | 81 °C |
| Brechungsindex | 9 ° (C=1, AcOH) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.Slightly soluble in water. |
| Aggregatzustand | Solid |
| Farbe | White to Almost white |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C9H17NO5/c1-5(11)6(7(12)13)10-8(14)15-9(2,3)4/h5-6,11H,1-4H3,(H,10,14)(H,12,13)/t5-,6+/m0/s1 |
| InChIKey | LLHOYOCAAURYRL-NTSWFWBYSA-N |
| SMILES | N([C@H]([C@@H](O)C)C(=O)O)C(=O)OC(C)(C)C |
| CAS Datenbank | 55674-67-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 1 |
| Zollcode | 29225090 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
It is known to inhibit growth and cell wall synthesis of Mycobacterium smegmatis. Also used as a synthetic intermediate for the production of chiral antibiotics.