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

HCID 76546189

기본 정보

표준 SMILES
COc1c(C)c2c(c(O)c1CC=C(C)CC(CC=CCP(=O)(OC)OC)C(=O)O)C(=O)OC2
InChIKey
KZUYNPCHXKFKPP-UHFFFAOYSA-N
분자식
C23H31O9P
평균 분자량
482.5 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
IUPAC
2-(4-dimethoxyphosphorylbut-2-enyl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid

이름 및 동의어

SCHEMBL1374479KZUYNPCHXKFKPP-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

데이터베이스 식별자

PubChem CID
76546189

물성

구조 계산 물성

XLogP
3.3
극성 표면적
129 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
9
회전 가능 결합 수
12
무거운 원자 수
33

관련 반응

22건

화합물 노트

불러오는 중…