基本情報
- 標準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- 分子式
- C22H23FN4O5
- 平均分子量
- 442.4 g/mol
名称と識別子
- 優先名称
- {(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
名称と別名
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
データベース識別子
- PubChem CID
- 67164294
物性
構造計算による物性
- XLogP
- 2.1
- 極性表面積
- 97.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 9
- 回転可能結合数
- 6
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 691
関連反応
1 件
化合物ノート
読み込み中…