(5-((4-Methoxybenzyl)oxy)-4-(((trifluoromethyl)sulfonyl)oxy)pyridin-2-yl)methyl acetate
기본 정보
- 표준 SMILES
COc1ccc(COc2cnc(COC(C)=O)cc2OS(=O)(=O)C(F)(F)F)cc1- InChIKey
GGNNUPSPJZFFNC-UHFFFAOYSA-N- 분자식
- C17H16F3NO7S
- 평균 분자량
- 435.4 g/mol
- 단동위원소 질량
- 435.05995751
이름 및 식별자
- 우선 이름
- (5-((4-Methoxybenzyl)oxy)-4-(((trifluoromethyl)sulfonyl)oxy)pyridin-2-yl)methyl acetate
- IUPAC
- [5-[(4-methoxyphenyl)methoxy]-4-(trifluoromethylsulfonyloxy)-2-pyridinyl]methyl acetate
이름 및 동의어
(5-((4-methoxybenzyl)oxy)-4-(((trifluoromethyl)sulfonyl)oxy)pyridin-2-yl)methyl acetate724788-78-7{5-[(4-methoxyphenyl)methoxy]-4-(trifluoromethanesulfonyloxy)pyridin-2-yl}methyl acetateSCHEMBL1037182-(Acetoxymethyl)-4-(trifluoromethylsulfonyloxy)-5-(4-methoxybenzyloxy)pyridineDB-372320(5-[(4-methoxybenzyl)oxy]-4-{[(trifluoromethyl)sulfonyl]oxy}pyridin-2-yl)methylacetate(5-({[4-(methoxy)phenyl]methyl}oxy)-4-{[(trifluoromethyl)sulfonyl]oxy}-2-pyridinyl)methyl acetate(5-({[4-(Methyloxy)phenyl]methyl}oxy)-4-{[(trifluoromethyl)sulfonyl]oxy}-2-pyridinyl)methyl acetate
데이터베이스 식별자
- PubChem CID
- 57423118
- Nikkaji
- J2.877.121E
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 109 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 630
관련 반응
8건
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