HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5'-Sulfamoyladenosine
5’Sulfamoyladenosine · Adenosine, 5'-sulfaMate · 5’-O-sulfamoyl adenosine · ADENOSINE, 5'-SULFAMATE(8CI,9CI)
Identifikatoren & physikalische Daten
| CAS No. | 25030-31-3 |
|---|---|
| Summenformel | C10H14N6O6S |
| Durchschnittliche Molmasse | 346,32 g/mol |
| Monoisotopische Masse | 346,06955336 g/mol |
| SMILES | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O |
| InChIKey | GNZLUJQJDPRUTD-KQYNXXCUSA-N |
| PubChem CID | 97576 |
| ChEMBL | CHEMBL471144 |
Chemische & physikalische Eigenschaften
| XLogP | -3 |
|---|---|
| Polarare Oberfläche (TPSA) | 197 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 11 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 530 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 170 °C |
| Siedepunkt | 762.4±70.0 °C(Predicted) |
| Dichte | 2.24±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly, Heated) |
| pKa (Säurekonstante) | 9.15±0.70(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Stabilität | Hygroscopic |
Sicherheit & Vorschriften
| Zollcode | 29339900 |
|---|
Anwendungen & Verwendung
Verwenden
5’Sulfamoyladenosine is used in studies relating to novel parasite inhibitors. In addition, it is used in the design and synthesis of β-ketosulfonamide adenylation inhibitors, as antitubercular antib iotics.