2-[4-(Ethoxy-hydroxy-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 76550564

기본 정보

표준 SMILES
CCOP(=O)(O)CC=CCC(CC(C)=CCc1c(O)c2c(c(C)c1OC)COC2=O)C(=O)O
InChIKey
QKHSOSDMAACYQX-UHFFFAOYSA-N
분자식
C23H31O9P
평균 분자량
482.5 g/mol

이름 및 식별자

우선 이름
2-[4-(Ethoxy-hydroxy-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-[ethoxy(hydroxy)phosphoryl]but-2-enyl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid

이름 및 동의어

SCHEMBL1375181QKHSOSDMAACYQX-UHFFFAOYSA-N2-[4-(ethoxy-hydroxy-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
76550564

물성

구조 계산 물성

XLogP
3.1
극성 표면적
140 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
9
회전 가능 결합 수
12
무거운 원자 수
33

관련 반응

8건

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