(S)-5-((tert-butyldimethylsilyloxy)methyl)-1-(5-methoxy-2-nitro-4-(triisopropylsilyloxy)benzoyl)-4,5-dihydro-1H-pyrrol-3-yl trifluoromethanesulfonate (HCID 71550534)

기본 정보

표준 SMILES: COc1cc(C(=O)N2C=C(OS(=O)(=O)C(F)(F)F)C[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1O[Si](C(C)C)(C(C)C)C(C)C
InChIKey: JPEJHCHOVGMEEF-NRFANRHFSA-N
분자식: C29H47F3N2O9SSi2
평균 분자량: 712.9 g/mol

이름 및 식별자

우선 이름: (S)-5-((tert-butyldimethylsilyloxy)methyl)-1-(5-methoxy-2-nitro-4-(triisopropylsilyloxy)benzoyl)-4,5-dihydro-1H-pyrrol-3-yl trifluoromethanesulfonate
IUPAC: [(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[5-methoxy-2-nitro-4-tri(propan-2-yl)silyloxybenzoyl]-2,3-dihydropyrrol-4-yl] trifluoromethanesulfonate

이름 및 동의어

(S)-5-((tert-butyldimethylsilyloxy)methyl)-1-(5-methoxy-2-nitro-4-(triisopropylsilyloxy)benzoyl)-4,5-dihydro-1H-pyrrol-3-yl trifluoromethanesulfonateSCHEMBL14862367(S)-5-(((tert-butyldimethylsilyl)oxy)methyl)-1-(5-methoxy-2-nitro-4-((triisopropylsilyl)oxy)benzoyl)-4, 5-dihydro-1H-pyrrol-3-yl trifluoromethanesulfonate(S)-5-(((tert-butyldimethylsilyl)oxy)methyl)-1-(5-methoxy-2-nitro-4-((triisopropylsilyl)oxy)benzoyl)-4,5-dihydro-1H-pyrrol-3-yl trifluoromethanesulfonate

데이터베이스 식별자

PubChem CID: 71550534

물성

구조 계산 물성

극성 표면적: 146 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 12
회전 가능 결합 수: 13
무거운 원자 수: 46
형식 전하: 0
복잡도: 1,200

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