기본 정보
- 표준 SMILES
CCOC(=O)C(C)OP(=O)(CC=CCC(CC(C)=CCc1c(O)c2c(c(C)c1OC)COC2=O)C(=O)O)OC- InChIKey
MHBUOJMMYXYAKG-UHFFFAOYSA-N- 분자식
- C27H37O11P
- 평균 분자량
- 568.5 g/mol
이름 및 식별자
- 우선 이름
- 2-{4-[(1-Ethoxycarbonyl-ethoxy)-methoxy-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
- IUPAC
- 2-[4-[(1-ethoxy-1-oxopropan-2-yl)oxy-methoxyphosphoryl]but-2-enyl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
이름 및 동의어
SCHEMBL1378399MHBUOJMMYXYAKG-UHFFFAOYSA-N2-{4-[(1-Ethoxycarbonyl-ethoxy)-methoxy-phosphoryl]-but-2-enyl}-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enoic Acid2-{4-[(1-Ethoxycarbonyl-ethoxy)-methoxy-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
데이터베이스 식별자
- PubChem CID
- 72563672
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 155 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 961
관련 반응
9건
화합물 노트
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