HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
cis-Resveratrol 4'-O-glucuronide
cis Resveratrol 4O-b-D-Glucuronide · cis Resveratrol 4’-O--D-Glucuronide · cis Resveratrol 4’-O-β-D-Glucuronide · Cis resveratrol 4'-O-beta-D-glucuronide · 4-[(1Z)-2-(3,5-Dihydroxyphenyl)ethenyl]phenyl -D-Glucopyranosiduronic Acid · 4-[(1Z)-2-(3,5-Dihydroxyphenyl)ethenyl]phenyl b-D-Glucopyranosiduronic Acid · β-D-Glucopyranosiduronic acid, 4-[(1Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl
Identifikatoren & physikalische Daten
| CAS No. | 387372-26-1 |
|---|---|
| Summenformel | C20H20O9 |
| Durchschnittliche Molmasse | 404,4 g/mol |
| Monoisotopische Masse | 404,11073221 g/mol |
| SMILES | O=C(O)[C@H]1O[C@@H](Oc2ccc(/C=C\c3cc(O)cc(O)c3)cc2)[C@H](O)[C@@H](O)[C@@H]1O |
| InChIKey | CDEBVTGYVFHDMA-BMPGWQKJSA-N |
| PubChem CID | 71752003 |
| ChEBI | CHEBI:175989 |
| DTXSID | DTXSID801009346 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 157 |
| H-Brücken-Donoren | 6 |
| H-Brücken-Akzeptoren | 9 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 29 |
| Formalladung | 0 |
| Komplexität | 564 |
| Schmelzpunkt | >100°C (dec.) |
| Siedepunkt | 750.3±60.0 °C(Predicted) |
| Dichte | 1.615±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Amber Vial, -86°C Freezer, Under Inert Atmosphere |
| Löslichkeit | Methanol (Slightly), Water (Slightly) |
| pKa (Säurekonstante) | 2.78±0.70(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Off-White to Pale Red |
| Stabilität | Light Sensitive, Temperature Sensitive |