((3aR,4R,6R,6aS)-6-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)methanol
기본 정보
- 표준 SMILES
CC1(C)O[C@@H]2[C@@H](CO)C[C@@H](n3ccc4c(Cl)ncnc43)[C@@H]2O1- InChIKey
NHFIWDHYBIYYRP-HKWIRBFKSA-N- 분자식
- C15H18ClN3O3
- 평균 분자량
- 323.77 g/mol
이름 및 식별자
- 우선 이름
- ((3aR,4R,6R,6aS)-6-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)methanol
- IUPAC
- [(3aS,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol
이름 및 동의어
1379540-62-1((3aR,4R,6R,6aS)-6-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)methanol((3AR,4R,6R,6aS)-6-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol[(3aS,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol[(3aR,4R,6R,6aS)-6-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-yl]methanolSCHEMBL9109780NHFIWDHYBIYYRP-HKWIRBFKSA-NMFCD31803344((3ar,4r,6r,6as)-6-(4-chloro-7h-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl)methanolSY463452WS-02794D85446
이름 더 보기
(3aR,4R,6R,6aS)-6-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxole-4-methanol[(3aR,4R,6R,6aS)-6-{4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-2,2-dimethylhexahydrocyclopenta[d][1,3]dioxol-4-yl]methanol
데이터베이스 식별자
- PubChem CID
- 76844447
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 69.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 438
관련 반응
6건
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