((3aR,4R,6R,6aR)-6-{6-[(1S)-2,3-dihydro-1H-inden-1-yl(methyl)amino]-9H-purin-9-yl}-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol
基本情報
- 標準SMILES
CN(c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H]2OC(C)(C)O[C@H]21)[C@H]1CCc2ccccc21- InChIKey
MPIDBXXULFUXKR-XVZIYINBSA-N- 分子式
- C23H27N5O4
- 平均分子量
- 437.5 g/mol
名称と識別子
- 優先名称
- ((3aR,4R,6R,6aR)-6-{6-[(1S)-2,3-dihydro-1H-inden-1-yl(methyl)amino]-9H-purin-9-yl}-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol
- IUPAC
- [(3aR,4R,6R,6aR)-4-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
名称と別名
SCHEMBL1797311MPIDBXXULFUXKR-XVZIYINBSA-N((3aR,4R,6R,6aR)-6-{6-[(1S)-2,3-dihydro-1H-inden-1-yl(methyl)amino]-9H-purin-9-yl}-2,2-dimethyltetrahydrofuro [3,4-d][1,3]dioxol-4-yl)methanol((3aR,4R,6R,6aR)-6-{6-[(1S)-2,3-dihydro-1H-inden-1-yl(methyl)amino]-9H-purin-9-yl}-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol((3aR,4R,6R,6aR)-6-{6[(1S)-2,3-dihydro-1H-inden-1-yl(methyl)amino]-9H-purin-9-yl}-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol
データベース識別子
- PubChem CID
- 67164532
物性
構造計算による物性
- XLogP
- 1.8
- 極性表面積
- 94.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 8
- 回転可能結合数
- 4
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 697
関連反応
1 件
化合物ノート
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