HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
9-(2-Hydroxypropyl)adenine
9H-Purine-9-ethanol, 6-amino-a-methyl- · 9H-Purine-9-ethanol, 6-amino-α-methyl-
Identifikatoren & physikalische Daten
| CAS No. | 14047-26-8 |
|---|---|
| Summenformel | C8H11N5O |
| Durchschnittliche Molmasse | 193,21 g/mol |
| SMILES | CC(O)Cn1cnc2c(N)ncnc21 |
| InChIKey | MJZYTEBKXLVLMY-UHFFFAOYSA-N |
| PubChem CID | 1942 |
| ChEMBL | CHEMBL504495 |
Chemische & physikalische Eigenschaften
| XLogP | -0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 89,9 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 202 |
| Schmelzpunkt | 192-193 °C |
| Siedepunkt | 457.7±55.0 °C(Predicted) |
| Dichte | 1.57±0.1 g/cm3(Predicted) |
| pKa (Säurekonstante) | 14.42±0.20(Predicted) |
Anwendungen & Verwendung
Verwenden
9-(2-Hydroxypropyl)adenine is the unlabeled form of 9-(2-Hydroxypropyl)adenine-13C5 (H952012), which is an intermediate used in the synthesis of rac Tenofovir-13C5 (>90%) (T018501), the isotope labelled analog of Tenofovir (T018500); an acyclic phosphonate nucleotide analogue and reverse transcriptase inhibitor. Also used as an anti-HIV agent and antiviral.