기본 정보
- 표준 SMILES
COc1cc(OC)c([C@@H]2CCN(C)[C@H]2CO)c(O)c1C(C)=O- InChIKey
JJSDPGSJXCYILH-MNOVXSKESA-N- 분자식
- C16H23NO5
- 평균 분자량
- 309.36 g/mol
이름 및 식별자
- 우선 이름
- (-)-trans-1-[2-Hydroxy-3-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-4,6-dimethoxyphenyl]-1-ethanone
- IUPAC
- 1-[2-hydroxy-3-[(2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4,6-dimethoxyphenyl]ethanone
이름 및 동의어
SCHEMBL663335JJSDPGSJXCYILH-MNOVXSKESA-N(+)-trans-1-[2-Hydroxy-3-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)- -4,6-dimethoxyphenyl]-1-ethanone(+)-trans-1-[2-Hydroxy-3-(2-hydroxymethyl-1-methyl-pyrrolidine-3-yl)-4,6-dimethoxy-phenyl]-ethanone(+/-)-trans-1-(2-Hydroxy-3-(2-(hydroxymethyl)-1-methylpyrrolidin-3-yl)-4,6-dimethoxy-phenyl)ethanone(+/-)-trans-1-[2-hydroxy-3-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-4,6-dimethoxy-phenyl]-ethanone(+/-)-trans-1-[2-hydroxy-3-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-4,6-dimethoxyphenyl]-ethanone(-)-trans-1-[2-hydroxy-3-(2-hydroxymethyl-1-methyl pyrrolidin-3-yl)-4,6-dimethoxyphenyl)-ethanone(-)-trans-1-[2-Hydroxy-3-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-4,6-dimethoxyphenyl]-1-ethanone(-)-trans-1-[2-Hydroxy-3-(2-hydroxymethyl-1-methyl-pyrrolidine-3-yl)-4,6-dimethoxy-phenyl]-ethanone(-)-trans-1-[2-Hydroxy-3-(2-hydroxymethyl-1-methylpyrrolidin-3-yl)-4,6-dimethoxy phenyl)-ethanone
데이터베이스 식별자
- PubChem CID
- 59318484
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 79.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 391
관련 반응
11건
화합물 노트
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