(3R,3aR,6R,6aR)-6-[6-chloro-5-[4-[5-[4-(2-hydroxy-2-methyl-propyl)pyrazol-1-yl]-2-pyridyl]phenyl]-1-(2-trimethylsilylethoxy-methyl)imidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
기본 정보
- 표준 SMILES
CC(C)(O)Cc1cnn(-c2ccc(-c3ccc(-c4nc5nc(O[C@@H]6CO[C@H]7[C@@H]6OC[C@H]7O)n(COCC[Si](C)(C)C)c5cc4Cl)cc3)nc2)c1- InChIKey
IRDLCMMIFLMHFI-NXTVQBOKSA-N- 분자식
- C36H43ClN6O6Si
- 평균 분자량
- 719.3 g/mol
- 단동위원소 질량
- 718.2701873
이름 및 식별자
- 우선 이름
- (3R,3aR,6R,6aR)-6-[6-chloro-5-[4-[5-[4-(2-hydroxy-2-methyl-propyl)pyrazol-1-yl]-2-pyridyl]phenyl]-1-(2-trimethylsilylethoxy-methyl)imidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
- IUPAC
- (3R,3aR,6R,6aR)-6-[6-chloro-5-[4-[5-[4-(2-hydroxy-2-methylpropyl)pyrazol-1-yl]-2-pyridinyl]phenyl]-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
이름 및 동의어
SCHEMBL14937397IRDLCMMIFLMHFI-NXTVQBOKSA-N(3R,3aR,6R,6aR)-6-[6-chloro-5-[4-[5-[4-(2-hydroxy-2-methyl-propyl)pyrazol-1-yl]-2-pyridyl]phenyl]-1-(2-trimethylsilylethoxy-methyl)imidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
데이터베이스 식별자
- PubChem CID
- 86684748
물성
구조 계산 물성
- 극성 표면적
- 139 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,120
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