((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
기본 정보
- 표준 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- 분자식
- C23H27N5O4
- 평균 분자량
- 437.5 g/mol
이름 및 식별자
- 우선 이름
- ((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
이름 및 동의어
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
데이터베이스 식별자
- PubChem CID
- 67164532
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 94.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 697
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