6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-2-[4-(hydroxy-methoxy-phosphoryl)-but-2-enyl]-4-methyl-hex-4-enoic Acid

HCID 72563670

기본 정보

표준 SMILES
COc1c(C)c2c(c(O)c1CC=C(C)CC(CC=CCP(=O)(O)OC)C(=O)O)C(=O)OC2
InChIKey
TUAUEVAQKHRRNQ-UHFFFAOYSA-N
분자식
C22H29O9P
평균 분자량
468.4 g/mol

이름 및 식별자

우선 이름
6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-2-[4-(hydroxy-methoxy-phosphoryl)-but-2-enyl]-4-methyl-hex-4-enoic Acid
IUPAC
6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-[4-[hydroxy(methoxy)phosphoryl]but-2-enyl]-4-methylhex-4-enoic acid

이름 및 동의어

SCHEMBL1376929TUAUEVAQKHRRNQ-UHFFFAOYSA-N6(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-2-[4-(hydroxy-methoxy-phosphoryl)-but-2-enyl]-4-methyl-hex-4-enoic acid6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-2-[4-(hydroxy-methoxy-phosphoryl)-but-2-enyl]-4-methyl-hex-4-enoic Acid

데이터베이스 식별자

PubChem CID
72563670

물성

구조 계산 물성

XLogP
2.7
극성 표면적
140 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
9
회전 가능 결합 수
11
무거운 원자 수
32

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