기본 정보
- CAS
1217740-96-9- 표준 SMILES
COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)c1- InChIKey
UMSPNQKPXWOGLL-UONOGXRCSA-N- 분자식
- C17H23NO5
- 평균 분자량
- 321.4 g/mol
- 단동위원소 질량
- 321.15762283
이름 및 식별자
- 우선 이름
- Trans-1-Boc-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
- IUPAC
- (3S,4R)-4-(3-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
- 현지명
- BOC-(TRANS)-4-(3-하이드록시-페닐)-피롤리딘-3-카복실산
- 영어명
- BOC-(TRANS)-4-(3-HYDROXY-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID
- 분자식
- C17H23NO5
- 분자량
- 321.37
이름 및 동의어
BOC-(+/-)-TRANS-4-(3-METHOXY-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACIDTrans-1-Boc-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid1217740-96-9MFCD06659302(3S,4R)-4-(3-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid1420536-93-1(3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(3-METHOXYPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID(3R,4S)-1-(tert-Butoxycarbonyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acidAKOS037655591AT45719PS-12703EN300-1454719
이름 더 보기
BOC-(TRANS)-4-(3-하이드록시-페닐)-피롤리딘-3-카복실산BOC-TRANS-DL-PRO(3-HYDROXYPHENYL)-OHBoc-trans-DL-b-Pro-4-(3-hydroxyphenyl)-OHBOC-(TRANS)-4-(3-HYDROXY-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACIDBOC-(+/-)-TRANS-4-(3-HYDROXYPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID(±)-trans-1-Boc-4-(3-methoxy-phenyl)-pyrrolidine-3-carboxylic acid(±)-trans-1-(t-Butoxycarbonyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid(±)-trans-1-(t-Butoxycarbonyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid(Tert-Butoxy)Carbonyl (±)-trans-4-(3-methoxy-phenyl)-pyrrolidine-3-carboxylic acid1,3-Pyrrolidinedicarboxylic acid, 4-(3-methoxyphenyl)-, 1-(1,1-dimethylethyl) ester1,3-Pyrrolidinedicarboxylic acid, 4-(3-methoxyphenyl)-, 1-(1,1-dimethylethyl) ester, (3R,4S)-rel-
(3S,4R)-1-tert-butoxycarbonyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acidrac-(3R,4S)-1-[(tert-butoxy)carbonyl]-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
데이터베이스 식별자
- CAS
1217740-96-9- PubChem CID
- 2762172
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 76.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 445
물리화학적 성질
- 끓는 점
- 471.987 · 471.987±45.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.202 · 1.202±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 4.326 · 4.326±0.40(predicted)
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…