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4'-Nitrophenyl-2-acetamido-2-desoxy-β-glucopyranosid
p-Nitrophenyl 2-Acetamido-2-deoxy-β-D-glucopyranoside · GLCNAC1-B-PNP · PNP-BETA-D-GLCNAC · 4-Nitorphenyl--N-acetyl-D- · PNP N-ACETYL-BETA-D-GLUCOSAMINIDE · 4-Nitrophenyl 2-acetamido-2-deoxy- · p-Nitrophenyl-N-acetylglucosaminide · 4-Nitrophenyl 2-acetamido-2-deoxy-β
Identifikatoren & physikalische Daten
| CAS No. | 3459-18-5 |
|---|---|
| Summenformel | C14H18N2O8 |
| Durchschnittliche Molmasse | 342,3 g/mol |
| Monoisotopische Masse | 342,10631554 g/mol |
| SMILES | CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@@H](O)[C@@H]1O |
| InChIKey | OMRLTNCLYHKQCK-DHGKCCLASA-N |
| PubChem CID | 102416 |
| ChEMBL | CHEMBL595014 |
| ChEBI | CHEBI:90343 |
| EC No. | 222-398-7 |
| DTXSID | DTXSID301275049 |
| Lokaler Name | 4'-Nitrophenyl-2-acetamido-2-desoxy-β-glucopyranosid |
Chemische & physikalische Eigenschaften
| XLogP | -0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 154 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 449 |
| Schmelzpunkt | 210-212 °C |
| Siedepunkt | 477.77°C (rough estimate) |
| Dichte | 1.3038 (rough estimate) |
| Brechungsindex | 1.5110 (estimate) |
| Lagerbedingungen | -20°C |
| Löslichkeit | H2O: 5 mg/mL, clear, colorless to very faintly yellowwater: 5mg/mL, clear, colorless to very faintly yellow |
| Aggregatzustand | Fine Powder |
| pKa (Säurekonstante) | 12.76±0.70(Predicted) |
| Farbe | White to off-white |
| BRN | 96193 |
| InChI | InChI=1/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14-/s3 |
| InChIKey | OMRLTNCLYHKQCK-DOSMMQPLNA-N |
| SMILES | O(C1C=CC(N(=O)=O)=CC=1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)C |&1:10,12,15,17,19,r| |
| CAS Datenbank | 3459-18-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.Not ClassifiedAggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Not Classified |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29329990 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Nitrophenyl-N-acetyl-β- D-glucosaminide is a useful substrate for the rapid colorimetric assay of N-Acetyl-beta-glucosaminidase in human urine