기본 정보
- CAS
1392214-13-9- 표준 SMILES
COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)c1OC- InChIKey
NBVLXJGYHYKWTI-OLZOCXBDSA-N- 분자식
- C18H25NO6
- 평균 분자량
- 351.4 g/mol
이름 및 식별자
- 우선 이름
- (3R,4S)-rel-1-(tert-Butoxycarbonyl)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
- IUPAC
- (3R,4S)-4-(2,3-dimethoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
- 영어명
- Boc-(trans)-4-(2,3-dimethoxy-phenyl)-pyrrolidine-3-carboxylic acid
- 분자식
- C18H25NO6
- 분자량
- 351.39
이름 및 동의어
(3R,4S)-rel-1-(tert-Butoxycarbonyl)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid1392214-13-9Boc-(+/-)-trans-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid(3R,4S)-1-[(tert-butoxy)carbonyl]-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acidG85321(3R,4S)-rel-1-(tert-Butoxycarbonyl)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylicacid(3R,4S)-4-(2,3-dimethoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acidBOC-TRANS-DL-PRO(2,3-DIMETHOXYPHENYL)-OHBoc-trans-DL-b-Pro-4-(2,3-dimethoxyphenyl)-OHBoc-(±)-trans-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acidBoc-(trans)-4-(2,3-dimethoxy-phenyl)-pyrrolidine-3-carboxylic acid(3S,4R)-1-(tert-butoxycarbonyl)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
이름 더 보기
(Tert-Butoxy)Carbonyl (±)-trans-4-(2,3-dimethoxy-phenyl)-pyrrolidine-3-carboxylic acid1,3-Pyrrolidinedicarboxylic acid, 4-(2,3-dimethoxyphenyl)-, 1-(1,1-dimethylethyl) ester, (3R,4S)-rel-
데이터베이스 식별자
- CAS
1392214-13-9
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 85.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 488
물리화학적 성질
- 끓는 점
- 481.5 · 481.5±45.0 °C(Predicted)
- 밀도
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.27 · 4.27±0.40(Predicted)
화학 및 산업
공급사3 곳
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