[5-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-3-methyl-pent-3-enyl]-phosphonic acid monoethyl ester

HCID 76548828

기본 정보

표준 SMILES
CCOP(=O)(O)CCC(C)=CCc1c(O)c2c(c(C)c1OC)COC2=O
InChIKey
KYCAHRWYAYRWLS-UHFFFAOYSA-N
분자식
C18H25O7P
평균 분자량
384.4 g/mol

이름 및 식별자

우선 이름
[5-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-3-methyl-pent-3-enyl]-phosphonic acid monoethyl ester
IUPAC
ethoxy-[5-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-3-methylpent-3-enyl]phosphinic acid

이름 및 동의어

SCHEMBL1374487KYCAHRWYAYRWLS-UHFFFAOYSA-N[5-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-3-methyl-pent-3-enyl]-phosphonic acid monoethyl ester

데이터베이스 식별자

PubChem CID
76548828

물성

구조 계산 물성

XLogP
2.8
극성 표면적
102 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
8
무거운 원자 수
26

관련 반응

10건

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