[4-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-2-methyl-but-2-enyloxymethyl]-phosphonic acid monophenyl ester

HCID 76541028

기본 정보

표준 SMILES
COc1c(C)c2c(c(O)c1CC=C(C)COCP(=O)(O)Oc1ccccc1)C(=O)OC2
InChIKey
WZGKARIQGYXLDX-UHFFFAOYSA-N
분자식
C22H25O8P
평균 분자량
448.4 g/mol

이름 및 식별자

우선 이름
[4-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-2-methyl-but-2-enyloxymethyl]-phosphonic acid monophenyl ester
IUPAC
[4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enoxy]methyl-phenoxyphosphinic acid

이름 및 동의어

SCHEMBL1375207WZGKARIQGYXLDX-UHFFFAOYSA-N[4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-2-methyl-but-2-enyloxymethyl]-phosphonic acid monophenyl ester

데이터베이스 식별자

PubChem CID
76541028

물성

구조 계산 물성

XLogP
3.7
극성 표면적
112 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
9
무거운 원자 수
31

관련 반응

12건

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