{(3aR,4R,6R,6aR)-6-[6-(4-Fluorobenzyl)-9H-purin-9-yl]-2,2-dimethyl-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl}methyl acetate
Grundinformationen
- Standard-SMILES
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cc4ccc(F)cc4)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21- InChIKey
PCKKFBJXDWZMKJ-XLBJILASSA-N- Summenformel
- C22H23FN4O5
- Durchschnittliche Molmasse
- 442,4 g/mol
Namen und Bezeichner
- Bevorzugter Name
- {(3aR,4R,6R,6aR)-6-[6-(4-Fluorobenzyl)-9H-purin-9-yl]-2,2-dimethyl-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl}methyl acetate
- IUPAC
- [(3aR,4R,6R,6aR)-4-[6-[(4-fluorophenyl)methyl]purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate
Namen und Synonyme
SCHEMBL1796686PCKKFBJXDWZMKJ-XLBJILASSA-N{(3aR,4R,6R,6aR)-6-[6-(4-Fluorobenzyl)-9H-purin-9-yl]-2,2-dimethyl-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl}methyl acetate{(3aR,4R,6R,6aR)-6-[6-(4-Fluorobenzyl)-9H-purin-9-yl]-2,2-dimethyltetrahydro-furo[3,4-d][1,3]-dioxol-4-yl}methyl acetate{(3aR,4R,6R,6aR)-6-[6-(4-Fluorobenzyl)-9H-purin-9-yl]-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl}methyl acetate
Datenbank-Bezeichner
- PubChem CID
- 67164294
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 97,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 691
Zugehörige Reaktionen
1
Notizen zur Verbindung
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