HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
p-Nitrophenyl-β-D-glucopyranosiduronsure
NPG · p-Nitrophenyl-β-D-glucuronide · pNPG-1 · PNP-GlcA · GlcA-b-PNP · PNP-BETA-D-GLCA · p-nitrophenyl B2 · 4-Nitrophenyl βSynonym 4-Nitropheny
Identifikatoren & physikalische Daten
| CAS No. | 10344-94-2 |
|---|---|
| Summenformel | C12H13NO9 |
| Durchschnittliche Molmasse | 315,23 g/mol |
| Monoisotopische Masse | 315,059031 g/mol |
| SMILES | O=C(O)[C@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](O)[C@@H]1O |
| InChIKey | QSUILVWOWLUOEU-GOVZDWNOSA-N |
| PubChem CID | 82565 |
| ChEMBL | CHEMBL495244 |
| ChEBI | CHEBI:90146 |
| EC No. | 233-753-0 |
| DTXSID | DTXSID801356618 |
| Lokaler Name | p-Nitrophenyl-β-D-glucopyranosiduronsure |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 162 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 9 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 417 |
| LogP (Verteilungskoeffizient) | -0.75 |
| Schmelzpunkt | 93°C |
| Siedepunkt | 644.4±55.0 °C(Predicted) |
| Dichte | 1.731±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20°C |
| Löslichkeit | H2O: 0.1 g/mL, clear, faintly yellowWater : 250 mg/mL (793.07 mMNeed ultrasonic) |
| pKa (Säurekonstante) | 2.69±0.70(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| BRN | 1438576 |
| InChI | InChI=1/C12H13NO9/c14-7-8(15)10(11(17)18)22-12(9(7)16)21-6-3-1-5(2-4-6)13(19)20/h1-4,7-10,12,14-16H,(H,17,18)/t7-,8-,9+,10-,12+/s3 |
| InChIKey | QSUILVWOWLUOEU-GOVZDWNOSA-N |
| SMILES | [C@H]1(OC2C=CC([N+]([O-])=O)=CC=2)[C@H](O)[C@H]([C@H](O)[C@@H](C(=O)O)O1)O |&1:0,11,13,14,16,r| |
| CAS Datenbank | 10344-94-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Regulatorische Informationen | .beta.-D-Glucopyranosiduronic acid, 4-nitrophenyl: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29329990 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Nitrophenyl β-D-glucuronide has been used for determining the β-glucuronidase activity in urine samples, β-glucuronidase activity of bacteria in caecum content digesta and bovine liver. It has also been used to study the inhibitory effect of Phyllanthus amarus extracts on β-glucuronidase.