(-)-trans-1-[2-Hydroxy-3-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-4,6-dimethoxyphenyl]-1-ethanone

HCID 59318484

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

관련 반응

11건

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