기본 정보
- 표준 SMILES
Cc1ccc(S(=O)(=O)OC[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1- InChIKey
NXLHXKQZPMJMPL-SFHVURJKSA-N- 분자식
- C20H23NO5S
- 평균 분자량
- 389.5 g/mol
이름 및 식별자
- 우선 이름
- (S)-2-(Toluene-4-sulfonyloxymethyl)-pyrrolidine-1-carboxylic acid benzyl ester
- IUPAC
- benzyl (2S)-2-[(4-methylphenyl)sulfonyloxymethyl]pyrrolidine-1-carboxylate
이름 및 동의어
72500-24-4(S)-2-(Toluene-4-sulfonyloxymethyl)-pyrrolidine-1-carboxylic acid benzyl ester(S)-Benzyl 2-((tosyloxy)methyl)pyrrolidine-1-carboxylateSCHEMBL809492NXLHXKQZPMJMPL-SFHVURJKSA-NBenzyl (2S)-2-[(4-methylphenyl)sulfonyloxymethyl]pyrrolidine-1-carboxylate(2S)-2-(4-methylphenylsulfonyloxymethyl)-pyrrolidine-1-carboxylic acid benzyl esterDB-247756(S)-Benzyl2-((tosyloxy)methyl)pyrrolidine-1-carboxylatebenzyl (2S)-2-(p-tolylsulfonyloxymethyl)pyrrolidine-1-carboxylate(2S)-2-(4-methylphenylsulfonyloxymethyl)pyrrolidine-1-carboxylic acid benzyl esterphenylmethyl (2S)-2-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1-pyrrolidinecarboxylate
이름 더 보기
phenylmethyl(2S)-2-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1-pyrrolidinecarboxylate
데이터베이스 식별자
- PubChem CID
- 10960094
- Nikkaji
- J2.681.803F
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 81.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 574
관련 반응
3건
화합물 노트
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