기본 정보
- 표준 SMILES
COC(=O)C(CC=CCP(=O)(OC)OC)CC(C)=CCc1c(O)c2c(c(C)c1OC)COC2=O- InChIKey
JGKYQHWOHLLHHO-UHFFFAOYSA-N- 분자식
- C24H33O9P
- 평균 분자량
- 496.5 g/mol
이름 및 식별자
- 우선 이름
- 2-[4-(Dimethoxy-phosphoryl)-but-2-enyl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid methyl ester
- IUPAC
- methyl 2-(4-dimethoxyphosphorylbut-2-enyl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
이름 및 동의어
SCHEMBL1374300JGKYQHWOHLLHHO-UHFFFAOYSA-N2-[4-(Dimethoxy-phosphoryl)-but-2-enyl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid methyl ester2-[4-(Dimethoxy-phosphoryl)-but-2-enyl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methyl-hex-4-enoic acid methyl ester2-[4-(Dimethoxy-phosphoryl)but-2-enyl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid methyl ester
데이터베이스 식별자
- PubChem CID
- 76546188
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 800
관련 반응
22건
연결된 노트
불러오는 중…