HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Nitrophenyl-α-D-glucopyranosid
4-nitrophenyl α-D-glucopyranoside · α-D-Glucopyranoside, 4-nitrophenyl · Glc-a-PNP · alfa-PNPG · PNP -α-D-GLU · PNP-ALPHA-GLU · PNP-ALPHA-D-GLC · PNP-α-D-glucopyranoside
Identifikatoren & physikalische Daten
| CAS No. | 3767-28-0 |
|---|---|
| Summenformel | C12H15NO8 |
| Durchschnittliche Molmasse | 301,25 g/mol |
| Monoisotopische Masse | 301,07976644 g/mol |
| SMILES | O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |
| InChIKey | IFBHRQDFSNCLOZ-ZIQFBCGOSA-N |
| PubChem CID | 92969 |
| ChEMBL | CHEMBL1235365 |
| ChEBI | CHEBI:91122 |
| EC No. | 223-189-3 |
| DTXSID | DTXSID701031992 |
| Lokaler Name | 4-Nitrophenyl-α-D-glucopyranosid |
Chemische & physikalische Eigenschaften
| XLogP | -0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 145 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 354 |
| Schmelzpunkt | 210-216 °C |
| Siedepunkt | 442.39°C (rough estimate) |
| Dichte | 1.3709 (rough estimate) |
| Brechungsindex | 218.5 ° (C=0.5, H2O) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Store in freezer, under -20°C |
| Löslichkeit | DMF: 10 mg/ml,DMSO: 10 mg/ml,Ethanol: Slightly soluble,PBS (pH 7.2): 0.3 mg/mlSoluble in water, warm ethanol and methanol. |
| pKa (Säurekonstante) | 12.55±0.70(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Off-white to light yellow |
| BRN | 92212 |
| InChI | InChI=1/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12+/s3 |
| InChIKey | IFBHRQDFSNCLOZ-ZIQFBCGOSA-N |
| SMILES | O(C1C=CC(N(=O)=O)=CC=1)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |&1:10,12,15,17,19,r| |
| CAS Datenbank | 3767-28-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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. |
|---|---|
| Regulatorische Informationen | .alpha.-D-Glucopyranoside, 4-nitrophenyl: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
| F | 3-10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29389090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-36-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Substrate for a-glucosidase inhibitor