4-hydroxy-2-isopentyl-2-phenyl-5-[(2-phenylphenyl)methylsulfanyl]-3H-pyran-6-one
기본 정보
- 표준 SMILES
CC(C)CCC1(c2ccccc2)CC(O)=C(SCc2ccccc2-c2ccccc2)C(=O)O1- InChIKey
HZFYLXKMXICARB-UHFFFAOYSA-N- 분자식
- C29H30O3S
- 평균 분자량
- 458.6 g/mol
- 단동위원소 질량
- 458.19156599
이름 및 식별자
- 우선 이름
- 4-hydroxy-2-isopentyl-2-phenyl-5-[(2-phenylphenyl)methylsulfanyl]-3H-pyran-6-one
- IUPAC
- 4-hydroxy-2-(3-methylbutyl)-2-phenyl-5-[(2-phenylphenyl)methylsulfanyl]-3H-pyran-6-one
이름 및 동의어
HZFYLXKMXICARB-UHFFFAOYSA-N4-hydroxy-2-isopentyl-2-phenyl-5-[(2-phenylphenyl)methylsulfanyl]-3H-pyran-6-one3-(Biphen-2-ylmethylthio)-5,6-dihydro-4-hydroxy-6-(3-methylbutyl) -6-phenyl-2H-pyran-2 -one3-(Biphen-2-ylmethylthio)-5,6-dihydro-4-hydroxy-6-(3-methylbutyl)-6-phenyl-2H-pyran-2-one5,6-Dihydro-4-hydroxy-6-(3-methylbutyl)-6-phenyl-3-(biphenyl-2-ylmethylthio)-2H-pyran-2-one (+/-)
데이터베이스 식별자
- PubChem CID
- 54714073
물성
구조 계산 물성
- XLogP
- 7.3
- 극성 표면적
- 71.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 674
관련 반응
2건
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