2-{[4-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-2-methyl-but-2-enyl]-phenoxy-phosphinoyloxy}-propionic Acid Ethyl Ester

HCID 76546203

기본 정보

표준 SMILES
CCOC(=O)C(C)OP(=O)(CC(C)=CCc1c(O)c2c(c(C)c1OC)COC2=O)Oc1ccccc1
InChIKey
QZOHSYKTMRAKAL-UHFFFAOYSA-N
분자식
C26H31O9P
평균 분자량
518.5 g/mol

이름 및 식별자

우선 이름
2-{[4-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-2-methyl-but-2-enyl]-phenoxy-phosphinoyloxy}-propionic Acid Ethyl Ester
IUPAC
ethyl 2-[[4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]-phenoxyphosphoryl]oxypropanoate

이름 및 동의어

SCHEMBL1377017QZOHSYKTMRAKAL-UHFFFAOYSA-N2-{[4-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-2-methyl-but-2-enyl]-phenoxy-phosphinoyloxy}-propionic Acid Ethyl Ester

데이터베이스 식별자

PubChem CID
76546203

물성

구조 계산 물성

XLogP
5
극성 표면적
118 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
12
무거운 원자 수
36

관련 반응

18건

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