Phosphoric acid mono-{4-[6-methoxy-7-methyl-3-oxo-4-hydroxy-1,3-dihydro-isobenzofuran-5-yl]-2-methyl-but-2-enyl} ester

HCID 67010432

기본 정보

표준 SMILES
COc1c(C)c2c(c(O)c1CC=C(C)COP(=O)(O)O)C(=O)OC2
InChIKey
INVMFCZDSNGFMH-UHFFFAOYSA-N
분자식
C15H19O8P
평균 분자량
358.28 g/mol

이름 및 식별자

우선 이름
Phosphoric acid mono-{4-[6-methoxy-7-methyl-3-oxo-4-hydroxy-1,3-dihydro-isobenzofuran-5-yl]-2-methyl-but-2-enyl} ester
IUPAC
[4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl] dihydrogen phosphate

이름 및 동의어

SCHEMBL1375041INVMFCZDSNGFMH-UHFFFAOYSA-NPhosphoric acid mono-{4-[6-methoxy-7-methyl-3-oxo-4-hydroxy-1,3-dihydro-isobenzofuran-5-yl]-2-methyl-but-2-enyl} esterPhosphoric acid mono-{4-[6-methoxy-7-methyl-3-oxo-4-hydroxy-1,3-dihydro-isobenzofuran-5-yl]-2-methyl-but-2-enyl}ester

데이터베이스 식별자

PubChem CID
67010432

물성

구조 계산 물성

XLogP
1.5
극성 표면적
123 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
8
회전 가능 결합 수
6
무거운 원자 수
24

관련 반응

4건

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