기본 정보
- CAS
171808-02-9- 표준 SMILES
COC(=O)CC/C(C)=C/Cc1c(OC)c(C)c2c(c1OS(=O)(=O)c1ccc(C)cc1)C(=O)OC2- InChIKey
UEHFBCOBVAUDFJ-LZYBPNLTSA-N- 분자식
- C25H28O8S
- 평균 분자량
- 488.6 g/mol
- 단동위원소 질량
- 488.15048886
이름 및 식별자
- 우선 이름
- Methyl 4'-Tosylmycophenolate
- IUPAC
- methyl (E)-6-[6-methoxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate
- 현지명
- 메틸4'-토실미코페놀레이트
- 영어명
- Methyl 4'-tosylmycophenolate
- 분자식
- C25H28O8S
- 분자량
- 488.55
이름 및 동의어
Methyl 4'-Tosylmycophenolate171808-02-9methyl (E)-6-[6-methoxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate(4E)-6-[1,3-Dihydro-6-methoxy-7-methyl-4-[[(4-methylphenyl)sulfonyl]oxy]-3-oxo-5-isobenzofuranyl]-4-methyl-4-hexenoic Acid Methyl Ester;CHEMBL392908DTXSID90441286UEHFBCOBVAUDFJ-LZYBPNLTSA-NMethyl (4E)-6-{6-methoxy-7-methyl-4-[(4-methylbenzene-1-sulfonyl)oxy]-3-oxo-1,3-dihydro-2-benzofuran-5-yl}-4-methylhex-4-enoatemethyl (E) 6-(1,3-dihydro-6-methoxy-7-methyl-3-oxo-4-p-toluenesulfonyloxyisobenzofuran-5-yl)-4-methyl-4-hexenoate메틸4'-토실미코페놀레이트(4E)-6-[1,3-Dihydro-6-Methoxy-7-Methyl-4-[[(4-Methylphenyl)sulfonyl]oxy]-3-oxo-5-isobenzofuranyl]-4-Methyl-4-hexenoic Acid Methyl Ester4-Hexenoic acid, 6-[1,3-dihydro-6-methoxy-7-methyl-4-[[(4-methylphenyl)sulfonyl]oxy]-3-oxo-5-isobenzofuranyl]-4-methyl-, methyl ester, (4E)-
데이터베이스 식별자
- CAS
171808-02-9- PubChem CID
- 10529011
- DTXSID
DTXSID90441286- ChEMBL
CHEMBL392908
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 853
물리화학적 성질
- 용해도
- 디클로로메탄 에 용해됨
- 물리적 상태
- 기름
- 색상
- 투명한
화학적 성질
Clear Oil
화학 및 산업
응용 분야
용도Methyl 4’-Tosylmycophenolate (cas# 171808-02-9) is a compound useful in organic synthesis.
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