기본 정보
- 표준 SMILES
Cc1ccc(S(=O)(=O)N2CC(O)CC2C(=O)O)cc1- InChIKey
UAFPTDLCLKLJKA-UHFFFAOYSA-N- 분자식
- C12H15NO5S
- 평균 분자량
- 285.32 g/mol
- 단동위원소 질량
- 285.06709358
이름 및 식별자
- 우선 이름
- 4-Hydroxy-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylic acid
- IUPAC
- 4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
- 영어명
- 4-Hydroxy-1-(toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid
- 분자식
- C12H15NO5S
- 분자량
- 285.32
이름 및 동의어
16257-64-04-hydroxy-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylic acid454473-66-64-Hydroxy-1-tosylpyrrolidine-2-carboxylic acid20275-18-74-Hydroxy-1-(toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acidMFCD00215527Proline,4-allo-hydroxy-1-(p-tolylsulfonyl)-, L- (7CI,8CI)4-hydroxy-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid4-hydroxy-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylic acidNSC690774
이름 더 보기
AKOS 90624TIMTEC-BB SBB012252(2S,4R)-4-Hydroxy-N-tosylproline(2S,4R)-4-Hydroxy-1-tosylpyrrolidine-2-carboxylic acidL-Proline, 4-hydroxy-1-[(4-methylphenyl)sulfonyl]-, (4R)-
4-hydroxy-1-[(4-methylphenyl)sulfonyl]pyrrolidine-2-carboxylic acidBAS 002276484-Hydroxy-1-((4-methylphenyl)sulfonyl)prolineOprea1_281947Oprea1_617129MLS001166266CHEMBL1870693SCHEMBL21551179
데이터베이스 식별자
- CAS
20275-18-7、454473-66-6- PubChem CID
- 296099
- DTXSID
DTXSID00942395- ChEMBL
CHEMBL1870693
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 436
실험 및 물리화학적 성질
Solubility>42.8 [ug/mL] (The mean of the results at pH 7.4)
물리화학적 성질
- 녹는점
- 154 · 154-156 °C
- 끓는 점
- 522.451 · 522.451±60.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.482 · 1.482±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 3.25 · 3.250±0.40(predicted)
화학 및 산업
공급사8 곳
宁波振岳医药科技有限公司19817745290 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
관련 반응
6건
연결된 노트
불러오는 중…