기본 정보
- CAS
127708-13-8- 표준 SMILES
COC(=O)[C@@H]1[C@H]2CC3(C[C@H]2C[C@H]1O[Si](C)(C)C(C)(C)C)OCC(C)(C)CO3- InChIKey
UMKFYXKVINPPEX-YYIAUSFCSA-N- 분자식
- C21H38O5Si
- 평균 분자량
- 398.6 g/mol
이름 및 식별자
- 우선 이름
- CID 14130028
- IUPAC
- methyl (1'R,2'R,3'aR,6'aS)-2'-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carboxylate
- 영어명
- (3''aS,4''R,5''R,6''aR)-5''-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]hexahydro-5,5-dimethylspiro[1,3-dioxane-2,2''(1''H)-pentalene]-4''-carboxylic Acid Methyl Ester
- 분자식
- C21H38O5Si
- 분자량
- 398.61
이름 및 동의어
127708-13-8SCHEMBL13101775methyl (1'R,2'R,3'aR,6'aS)-2'-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carboxylateMethyl (3aS,4R,5R,6aR)-5-((tert-butyldimethylsilyl)oxy)-5',5'-dimethylhexahydro-1H-spiro[pentalene-2,2'-[1,3]dioxane]-4-carboxylate(3'aS,4'R,5'R,6'aR)-5'-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]hexahydro-5,5-dimethylspiro[1,3-dioxane-2,2'(1'H)-pentalene]-4'-carboxylic Acid Methyl EsterSpiro[1,3-dioxane-2,2'(1'H)-pentalene]-4'-carboxylic acid, 5'-[[(1,1-dimethylethyl)dimethylsilyl]oxy]hexahydro-5,5-dimethyl-, methyl ester, (3'aS,4'R,5'R,6'aR)-(3''aS,4''R,5''R,6''aR)-5''-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]hexahydro-5,5-dimethylspiro[1,3-dioxane-2,2''(1''H)-pentalene]-4''-carboxylic Acid Methyl Ester
데이터베이스 식별자
- CAS
127708-13-8
물성
구조 계산 물성
- 극성 표면적
- 54 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 570
물리화학적 성질
- 끓는 점
- 422.9 · 422.9±45.0 °C(Predicted)
- 밀도
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- 용해도
- DCM, 에틸아세테이트, 메탄올에 용해됨
- 물리적 상태
- 기름
- 색상
- 무색
화학 및 산업
응용 분야
용도(3''aS,4''R,5''R,6''aR)-5''-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]hexahydro-5,5-dimethylspiro[1,3-dioxane-2,2''(1''H)-pentalene]-4''-carboxylic Acid Methyl Ester is an intermediate in the synthesis of Iloprost (I267300),a synthetic analogue of Prostacyclin (PGI2) used to treat pulmonary arterial hypertension (PAH), scleroderma, raynaud''s phenomenon and ischemia.
공급사2 곳
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
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