기본 정보
- CAS
50939-70-3- 표준 SMILES
COC(=O)CC(Oc1cc(C(=O)OC)c(C(=O)OC)c(C(=O)OC)c1-c1cc(C)c2cc(C)cc(C)c2n1)C(=O)OC- InChIKey
HBIPRWRUASCNJH-UHFFFAOYSA-N- 분자식
- C30H31NO11
- 평균 분자량
- 581.6 g/mol
- 단동위원소 질량
- 581.1897108
이름 및 식별자
- 우선 이름
- 1,2,3-Benzenetricarboxylic acid, 5-[3-methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-, trimethyl ester
- IUPAC
- trimethyl 5-(1,4-dimethoxy-1,4-dioxobutan-2-yl)oxy-4-(4,6,8-trimethylquinolin-2-yl)benzene-1,2,3-tricarboxylate
- 영어명
- 5-[3-Methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolyl)-1,2,3-benzenetricarboxylic acid trimethyl ester
- 분자식
- C30H31NO11
- 분자량
- 581.57
이름 및 동의어
50939-70-31,2,3-Benzenetricarboxylic acid, 5-[3-methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-, trimethyl esterHBIPRWRUASCNJH-UHFFFAOYSA-NDTXSID4013342825-[3-Methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolyl)-1,2,3-benzenetricarboxylic acid trimethyl esterDB-2634415-[3-Methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-1,2,3-benzenetricarboxylic acid trimethyl esterTrimethyl 5-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)oxy]-4-(4,6,8-trimethylquinolin-2-yl)benzene-1,2,3-tricarboxylateTrimethyl 5-[3-methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-1,2,3-benzenetricarboxylate #1,2,3-Benzenetricarboxylic acid, 5-[3-methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-, 1,2,3-trimethyl ester
데이터베이스 식별자
- CAS
50939-70-3- PubChem CID
- 635788
- DTXSID
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 154 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,000
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