기본 정보
- CAS
500731-91-9- 표준 SMILES
CC(C)n1c(/C=C/[C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)c(-c2ccc(F)cc2)c2ccccc21- InChIKey
QGKLFNQKKUKAQS-KAAYJFPCSA-N- 분자식
- C31H38FNO4
- 평균 분자량
- 507.6 g/mol
이름 및 식별자
- 우선 이름
- (3R,5S)-Fluvastatin-3,5-acetonide tert-Butyl Ester
- IUPAC
- tert-butyl 2-[(4R,6S)-6-[(E)-2-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
- 영어명
- (4R,6S)-6-[(1E)-2-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl Ester
- 분자식
- C31H38FNO4
- 분자량
- 507.64
이름 및 동의어
(3R,5S)-Fluvastatin-3,5-acetonide tert-Butyl Ester500731-91-9(4R,6S)-6-[(1E)-2-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl EsterC31H38FNO4SCHEMBL13625385FF23522(4R,6S)-6-[(1E)-2-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid 1,1-dimethylet hyl estertert-butyl 2-[(4R,6S)-6-[(E)-2-[3-(4-fluorophenyl)-1-isopropyl-indol-2-yl]vinyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetatetert-butyl 2-[(4R,6S)-6-[(E)-2-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetateFluvastatin Impurity 16tert-butyl 2-((4R,6S)-6-((E)-2-(3-(4-fluorophenyl)-1-isopropylindol-2-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate1,3-Dioxane-4-acetic acid, 6-[(1E)-2-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]ethenyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6S)-
데이터베이스 식별자
- CAS
500731-91-9
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 49.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 798
물리화학적 성질
- 녹는점
- 139 · 139-142°C
- 저장 조건
- Refrigerator
- 용해도
- 아세톤, 디에틸에테르, 에틸아세테이트에 용해됨
- 물리적 상태
- 고체
- 색상
- 옅은 노랑
화학적 성질
White Solid
화학 및 산업
공급사5 곳
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