기본 정보
- 표준 SMILES
COc1c(C)c2c(c(O)c1CC=C(C)CC(CC=CCP(=O)(O)OC)C(=O)O)C(=O)OC2- InChIKey
TUAUEVAQKHRRNQ-UHFFFAOYSA-N- 분자식
- C22H29O9P
- 평균 분자량
- 468.4 g/mol
이름 및 식별자
- 우선 이름
- 6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-2-[4-(hydroxy-methoxy-phosphoryl)-but-2-enyl]-4-methyl-hex-4-enoic Acid
- IUPAC
- 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-[4-[hydroxy(methoxy)phosphoryl]but-2-enyl]-4-methylhex-4-enoic acid
이름 및 동의어
SCHEMBL1376929TUAUEVAQKHRRNQ-UHFFFAOYSA-N6(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-2-[4-(hydroxy-methoxy-phosphoryl)-but-2-enyl]-4-methyl-hex-4-enoic acid6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-2-[4-(hydroxy-methoxy-phosphoryl)-but-2-enyl]-4-methyl-hex-4-enoic Acid
데이터베이스 식별자
- PubChem CID
- 72563670
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 140 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 777
관련 반응
9건
화합물 노트
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