(4R,6S)-6-[(E)-2-[2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethylcyclohexen-1-yl]ethenyl]-4-hydroxyoxan-2-one
기본 정보
- CAS
132100-55-1- 표준 SMILES
Cc1cc(C2=C(/C=C/[C@@H]3C[C@@H](O)CC(=O)O3)C(C)(C)CC(C)(C)C2)ccc1F- InChIKey
VDSBXXDKCUBMQC-HNGSOEQISA-N- 분자식
- C24H31FO3
- 평균 분자량
- 386.5 g/mol
- 단동위원소 질량
- 386.22572301
이름 및 식별자
- 우선 이름
- (4R,6S)-6-[(E)-2-[2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethylcyclohexen-1-yl]ethenyl]-4-hydroxyoxan-2-one
- IUPAC
- (4R,6S)-6-[(E)-2-[2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethylcyclohexen-1-yl]ethenyl]-4-hydroxyoxan-2-one
- 영어명
- dalvastatin
- 분자식
- C24H31FO3
- 분자량
- 386.5
이름 및 동의어
135910-20-2(4R,6S)-6-[(E)-2-[2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethylcyclohexen-1-yl]ethenyl]-4-hydroxyoxan-2-oneUNII-ZWE0X0IG9DDalvastatin [USAN:INN]Dalvastatine [INN-French]Dalvastatinum [INN-Latin]Dalvastatina [INN-Spanish]DALVASTATIN [INN]DALVASTATIN [USAN]SCHEMBL2301023(+-)-(4R*,6S*)-6-((E)-2-(2-(4-Fluoro-m-tolyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl)vinyl)tetrahydro-4-hydroxy-2H-pyran-2-one2H-Pyran-2-one, 6-((1E)-2-(2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl)ethenyl)tetrahydro-4-hydroxy-, (4R,6S)-
이름 더 보기
dalvastatin lactone2H-Pyran-2-one, 6-[(1E)-2-[2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl]ethenyl]tetrahydro-4-hydroxy-, (4R,6S)-
2H-Pyran-2-one, tetrahydro-6-(2-(2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl)ethenyl)-4-hydroxy-, (4R-(4-alpha,6-beta(E)))-(+/-)-(4R*,6S*)-6-((E)-2-(2-(4-FLUORO-M-TOLYL)-4,4,6,6-TETRAMETHYL-1-CYCLOHEXEN-1-YL)VINYL)TETRAHYDRO-4-HYDROXY-2H-PYRAN-2-ONE2H-Pyran-2-one, 6-((1E)-2-(2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl)ethenyl)tetrahydro-4-hydroxy-, (4R,6S)-rel-2H-PYRAN-2-ONE, 6-(2-(2-(4-FLUORO-3-METHYLPHENYL)-4,4,6,6-TETRAMETHYL-1-CYCLOHEXEN-1-YL)ETHENYL)TETRAHYDRO-4-HYDROXY-, (4.ALPHA.,6.BETA.(E))-(+/-)-2H-Pyran-2-one, 6-(2-(2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl)ethenyl)tetrahydro-4-hydroxy-, (4alpha,6beta(E))-(+-)-
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 661
물리화학적 성질
- 끓는 점
- 520.7 · 520.7±50.0 °C(Predicted)
- 밀도
- 1.164 · 1.164±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.34 · 13.34±0.40(Predicted)
관련 반응
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