4-(4-(2-(((3R,3aR,6R,6aS)-6-((tert-butyldimethylsilyl)oxy)hexahydrofuro[3,2-b]furan-3-yl)oxy)-6-chloro-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazo[4,5-b]pyridin-5-yl)phenyl)-3,6-dihydro-2H-thiopyran 1,1-dioxide (HCID 90041450)

기본 정보

표준 SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Oc1nc2nc(-c3ccc(C4=CCS(=O)(=O)CC4)cc3)c(Cl)cc2n1COCC[Si](C)(C)C
InChIKey: GNOFKSODDTWNGL-DHPILJFKSA-N
분자식: C35H50ClN3O7SSi2
평균 분자량: 748.5 g/mol
단동위원소 질량: 747.2596529

이름 및 식별자

우선 이름: 4-(4-(2-(((3R,3aR,6R,6aS)-6-((tert-butyldimethylsilyl)oxy)hexahydrofuro[3,2-b]furan-3-yl)oxy)-6-chloro-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazo[4,5-b]pyridin-5-yl)phenyl)-3,6-dihydro-2H-thiopyran 1,1-dioxide
IUPAC: 2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-5-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)phenyl]imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

이름 및 동의어

SCHEMBL15570189GNOFKSODDTWNGL-DHPILJFKSA-N4-(4-(2-(((3R,3aR,6R,6aS)-6-((tert-butyldimethylsilyl)oxy)hexahydrofuro[3,2-b]furan-3-yl)oxy)-6-chloro-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazo[4,5-b]pyridin-5-yl)phenyl)-3,6-dihydro-2H-thiopyran 1,1-dioxide

데이터베이스 식별자

PubChem CID: 90041450

물성

구조 계산 물성

극성 표면적: 119 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 9
회전 가능 결합 수: 12
무거운 원자 수: 49
형식 전하: 0
복잡도: 1,280

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