1-((S)-1-tert-butyldimethylsilyloxymethyl-2-methylpropyl)-7-fluoro-6-iodo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester
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기본 정보
- CAS
870294-02-3- 표준 SMILES
CCOC(=O)c1cn([C@H](CO[Si](C)(C)C(C)(C)C)C(C)C)c2cc(F)c(I)cc2c1=O- InChIKey
MXLCXQPXQAVJNE-HXUWFJFHSA-N- 분자식
- C23H33FINO4Si
- 평균 분자량
- 561.5 g/mol
이름 및 식별자
- 우선 이름
- 1-((S)-1-tert-butyldimethylsilyloxymethyl-2-methylpropyl)-7-fluoro-6-iodo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-7-fluoro-6-iodo-4-oxoquinoline-3-carboxylate
- 영어명
- (S)-ethyl 1-(1-((tert-butyldimethylsilyl)oxy)-3-methylbutan-2-yl)-7-fluoro-6-iodo-4-oxo-1,4-dihydroquinoline-3-carboxylate
- 분자식
- C23H33FINO4Si
- 분자량
- 561.5
이름 및 동의어
SCHEMBL1050849MXLCXQPXQAVJNE-HXUWFJFHSA-N1-((S)-1-tert-butyldimethylsilyloxymethyl-2-methylpropyl)-7-fluoro-6-iodo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester1-[(1S)-1-[[[(1,1-Dimethylethyl)dimethylsilyl]oxy]methyl]-2-methylpropyl]-7-fluoro-1,4-dihydro-6-iodo-4-oxo-3-quinolinecarboxylic acid ethyl ester(S)-ethyl 1-(1-((tert-butyldimethylsilyl)oxy)-3-methylbutan-2-yl)-7-fluoro-6-iodo-4-oxo-1,4-dihydroquinoline-3-carboxylate(S)-ethyl 1-(1-((tert-butyldimethylsilyl)oxy)-3-methylbutan-2-yl)-7-fluoro-6-iodo-4-oxo-1,4-dihydroquinoline-3-carboxylateChemicalBook3-Quinolinecarboxylic acid, 1-[(1S)-1-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2-methylpropyl]-7-fluoro-1,4-dihydro-6-iodo-4-oxo-, ethyl ester
데이터베이스 식별자
- CAS
870294-02-3
물성
구조 계산 물성보충 중
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 706
물리화학적 성질
- 끓는 점
- 533.9 · 533.9±50.0 °C(Predicted)
- 밀도
- 1.329 · 1.329±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.1 · -1.10±0.70(Predicted)
관련 반응
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