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기본 정보
- CAS
69853-43-6- 표준 SMILES
C=CC1=C(C)/C(=C\c2[nH]c(Cc3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O- InChIKey
BPYKTIZUTYGOLE-KDUUSRDASA-N- 분자식
- C33H36N4O6
- 평균 분자량
- 584.673 g/mol
- 단동위원소 질량
- 584.26348487
이름 및 식별자
- 우선 이름
- (4E,15Z)-Bilirubin IXα
- IUPAC
- 3-{2-({3-(2-Carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl}propanoic acid
- 영어명
- 3-[2-[3-(2-Carboxy-ethyl)-4-methyl-5-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-pyrrol-2-ylidenemethyl)-1H-pyrrol-2-ylmethyl]-4-methyl-5-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-pyrrol-2-ylidenemethyl)-1H-pyrrol-3-yl]-propionic acid
- 분자식
- C33H36N4O6
- 분자량
- 584.66
이름 및 동의어
4E,15Z-Bilirubin IXaBilirubin Impurity 521H-Biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-, (4E)-3-[2-[3-(2-Carboxy-ethyl)-4-methyl-5-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-pyrrol-2-ylidenemethyl)-1H-pyrrol-2-ylmethyl]-4-methyl-5-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-pyrrol-2-ylidenemethyl)-1H-pyrrol-3-yl]-propionic acid
데이터베이스 식별자
- CAS
69853-43-6- PubChem CID
- 21252250
- DTXSID
DTXSID201314258- ChEBI
CHEBI:72719- Nikkaji
- J1.176.971C
물성
물리화학적 성질
- 끓는 점
- 925.157 · 925.157±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.374 · 1.374±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 4.621 · 4.621±0.10(predicted)
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