2-[4-(Dihydroxy-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 72563630

기본 정보

표준 SMILES
COc1c(C)c2c(c(O)c1CC=C(C)CC(CC=CCP(=O)(O)O)C(=O)O)C(=O)OC2
InChIKey
NANZMWHVFCRUTM-UHFFFAOYSA-N
분자식
C21H27O9P
평균 분자량
454.4 g/mol

이름 및 식별자

우선 이름
2-[4-(Dihydroxy-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
6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methyl-2-(4-phosphonobut-2-enyl)hex-4-enoic acid

이름 및 동의어

NANZMWHVFCRUTM-UHFFFAOYSA-N2-[4-(Dihydroxy-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
72563630

물성

구조 계산 물성

XLogP
2.2
극성 표면적
151 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
9
회전 가능 결합 수
10
무거운 원자 수
31

관련 반응

4건

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