2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2H-pyrrol-5-one
기본 정보
- CAS
586992-39-4- 표준 SMILES
COc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCOCCO)cc1OC- InChIKey
ORJHVAUEJAGCBR-UHFFFAOYSA-N- 분자식
- C21H23NO8
- 평균 분자량
- 417.4 g/mol
이름 및 식별자
- 우선 이름
- 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2H-pyrrol-5-one
- IUPAC
- 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2H-pyrrol-5-one
- 영어명
- 5-(3,4-dimethoxyphenyl)-4-(2-furoyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-1,5-dihydro-2H-pyrrol-2-one
- 분자식
- C21H23NO8
- 분자량
- 417.41
이름 및 동의어
586992-39-42-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2H-pyrrol-5-oneSMR000149247MLS000558931CHEMBL1375298HMS2435B08STL042482AKOS005695736AKOS0323867455-(3,4-dimethoxyphenyl)-4-(2-furoyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-1,5-dihydro-2H-pyrrol-2-oneAB00455470-06AQ-149/43372321
이름 더 보기
2H-Pyrrol-2-one, 5-(3,4-dimethoxyphenyl)-4-(2-furanylcarbonyl)-1,5-dihydro-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-
(4E)-5-(3,4-dimethoxyphenyl)-4-[furan-2-yl(hydroxy)methylidene]-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2,3-dione5-(3,4-Dimethoxy-phenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-[2-(2-hydroxy-ethoxy)-ethyl]-1,5-dihydro-pyrr ol-2-one5-(3,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-(2-(2-hydroxyethoxy)ethyl)-1H-pyrrol-2(5H)-one
데이터베이스 식별자
- CAS
586992-39-4- ChEMBL
CHEMBL1375298
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 651
물리화학적 성질
- 끓는 점
- 638.2 · 638.2±55.0 °C(Predicted)
- 밀도
- 1.35 · 1.350±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
관련 반응
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