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(2R,3R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylpentanoic acid
FMOC-D-ILE · Fmoc-L-isoleucine · Fmoc-D-lle-OH · FMOC-D-ISOLEUCINE · N-Fmoc-D-isoleucine · Fmoc-D-IL · FMOC-D-ILE-OH · Fmoc-D-lIe-OH
![Molekülstruktur von (2R,3R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylpentanoic acid](/img/chemical/6992515.png)
Identifikatoren & physikalische Daten
| CAS No. | 143688-83-9 |
|---|---|
| Summenformel | C21H23NO4 |
| Durchschnittliche Molmasse | 353,4 g/mol |
| Monoisotopische Masse | 353,16270821 g/mol |
| SMILES | CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O |
| InChIKey | QXVFEIPAZSXRGM-BFUOFWGJSA-N |
| PubChem CID | 6992515 |
| EC No. | 812-041-9 |
Chemische & physikalische Eigenschaften
| XLogP | 4,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 75,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 26 |
| Formalladung | 0 |
| Komplexität | 486 |
| Schmelzpunkt | 143-145°C |
| Siedepunkt | 559.8±33.0 °C(Predicted) |
| Dichte | 1+-.0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 3.92±0.22(Predicted) |
| Farbe | White to off-white |
| Hauptanwendungen | peptide synthesis |
| InChI | InChI=1S/C21H23NO4/c1-3-13(2)19(20(23)24)22-21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,3,12H2,1-2H3,(H,22,25)(H,23,24)/t13-,19-/m1/s1 |
| InChIKey | QXVFEIPAZSXRGM-BFUOFWGJSA-N |
| SMILES | C(O)(=O)[C@@H]([C@H](C)CC)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O |
| CAS Datenbank | 143688-83-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH315 (66.7%): 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)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (66.7%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2924 29 70 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
N-Fmoc-D-isoleucine is the N-Fmoc-protected form of D-Isoleucine (I820210). D-Isoleucine is not biosynthesized in the human body and is therefore categorized as an essential amino acid that must be obtained through diet. It is also an important building block that is used in the formation of hemoglobin in humans.