tert-Butyl 2-((4R,6S)-6-((Z)-2-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
기본 정보
- CAS
1821422-50-7- 표준 SMILES
CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C\[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1- InChIKey
WIFPCEOJTKZGSA-IEHPJGJUSA-N- 분자식
- C29H40FN3O6S
- 평균 분자량
- 577.7 g/mol
- 단동위원소 질량
- 577.26218534
이름 및 식별자
- 우선 이름
- tert-Butyl 2-((4R,6S)-6-((Z)-2-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
- IUPAC
- tert-butyl 2-[(4R,6S)-6-[(Z)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
- 영어명
- tert-butyl 2-((4R,6S)-6-((Z)-2-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
- 분자식
- C29H40FN3O6S
- 분자량
- 577.71
이름 및 동의어
1821422-50-7tert-Butyl 2-((4R,6S)-6-((Z)-2-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetateRosuvastatin Impurity 3Rosuvastatin Impurity 458CNF5E6PXX1,1-Dimethylethyl (4R,6S)-6-[(1Z)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate1,3-Dioxane-4-acetic acid, 6-[(1Z)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6S)-Rosuvastatin isomerRosuvastatin isomer (Z)-4Rosuvastatin EP Impurity F Z-isomerTert-butyl 2-((4R,6S)-6-((Z)-2-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate (Rosuvastatin Impurity)
데이터베이스 식별자
- CAS
1821422-50-7
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 116 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 985
물리화학적 성질
- 끓는 점
- 673.3 · 673.3±65.0 °C(Predicted)
- 밀도
- 1.21 · 1.210±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- -0.43 · -0.43±0.10(Predicted)
관련 반응
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