기본 정보
- CAS
52247-81-1- 표준 SMILES
COC1=CC(=O)OC(CCc2ccccc2)C1O- InChIKey
VJCNEDVMYQCMBK-UHFFFAOYSA-N- 분자식
- C14H16O4
- 평균 분자량
- 248.27 g/mol
- 단동위원소 질량
- 248.10485899
개요
(+)-cis-5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one is an aromatic ether and a member of 2-pyranones.
이름 및 식별자
- 우선 이름
- 5-hydroxy-4-methoxy-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
- IUPAC
- 3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
- 현지명
- 디하이드로카와인-5-올
- 영어명
- dihydrokawain-5-ol
- 분자식
- C14H16O4
- 분자량
- 248.27
이름 및 동의어
5-Hydroxy-4-methoxy-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-oneRefChem:1072998(+)-cis-5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-onedihydrokawain-5-olSCHEMBL9016220CHEBI:174280VJCNEDVMYQCMBK-UHFFFAOYSA-N5-Hydroxy-4-methoxy-6-phenethyl-5,6-dihydro-2H-pyran-2-one2H-Pyran-2-one, 5,6-dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-디하이드로카와인-5-올7,8-Dihydrokawain-5-ol
이름 더 보기
(5R)-4-Methoxy-5α-hydroxy-6α-phenethyl-5,6-dihydro-2H-pyran-2-one(5R,6S)-4-Methoxy-5-hydroxy-6-phenethyl-5,6-dihydro-2H-pyran-2-one(5R)-5,6-Dihydro-5α-hydroxy-4-methoxy-6α-(2-phenylethyl)-2H-pyran-2-one(5R,6S)-5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one2H-Pyran-2-one, 5,6-dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-, (5R,6S)-
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 318
실험 및 물리화학적 성질
Melting Point92 °C
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 89.5 · 89.5-90 °C(Solv: ethyl ether (60-29-7))
- 끓는 점
- 472.3 · 472.3±45.0 °C(Predicted)
- 밀도
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.36 · 11.36±0.60(Predicted)
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
공급사1 곳
TargetMol中国（陶术生物）15002134094 · [email protected]
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