기본 정보
- CAS
265989-42-2- 표준 SMILES
[2H]c1c([2H])c([2H])c(-c2c(C(=O)Nc3ccccc3O)c(C(C)C)n(CC[C@@H]3C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O3)c2-c2ccc(F)cc2)c([2H])c1[2H]- InChIKey
OZJAGODXZFIYDA-REWGUOJHSA-N- 분자식
- C40H47FN2O6
- 평균 분자량
- 675.8 g/mol
- 단동위원소 질량
- 675.37319912
이름 및 식별자
- 우선 이름
- (6-{2-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-d5-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-Butyl Ester
- IUPAC
- tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
- 영어명
- (6-2-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-D5-pyrrol-1-yl]-ethyl-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-Butyl Ester
- 분자식
- C40H42D5FN2O6
- 분자량
- 675.84
이름 및 동의어
265989-42-2(6-{2-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-d5-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-Butyl EsterTert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate2-Hydroxy Atorvastatin-dDTXSID80442621AKOS0302432501,3-Dioxane-4-acetic acid, 6-[2-[2-(4-fluorophenyl)-4-[[(2-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-(phenyl-d5)-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)- (9CI)tert-Butyl [(4R,6R)-6-{2-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-(~2~H_5_)phenyl-5-(propan-2-yl)-1H-pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate2-Hydroxy Atorvastatin-d5 Acetonide tert-Butyl Ester(6-2-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-D5-pyrrol-1-yl]-ethyl-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-Butyl Ester
물성
구조 계산 물성
- XLogP
- 7.5
- 극성 표면적
- 99 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 1,080
물리화학적 성질
- 끓는 점
- 694.784 · 694.784±55.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.184 · 1.184±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 용해도
- 에 용해됨아세톤, 클로로포름, 디클로로메탄, 에틸아세테이트
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 8.174 · 8.174±0.10(predicted)
- 색상
- 흰색 거품
화학적 성질
White Foamy Solid
화학 및 산업
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