기본 정보
- CAS
1255933-98-2- 표준 SMILES
Cc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)c1- InChIKey
ITBNRQXFHZCACB-UONOGXRCSA-N- 분자식
- C17H23NO4
- 평균 분자량
- 305.4 g/mol
이름 및 식별자
- 우선 이름
- (3S,4R)-4-(3-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
- IUPAC
- (3S,4R)-4-(3-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
- 현지명
- BOC-(TRANS)-4-(3-메틸-페닐)-피롤리딘-3-카르복실산
- 영어명
- Boc-(trans)-4-(3-methyl-phenyl)-pyrrolidine-3-carboxylic acid
- 분자식
- C17H23NO4
- 분자량
- 305.37
이름 및 동의어
BOC-(+/-)-TRANS-4-(3-METHYL-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID959583-16-5(3S,4R)-4-(3-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acidMFCD066592711255933-98-2Trans-1-Boc-4-m-tolylpyrrolidine-3-carboxylic acidAKOS037655575PS-12393CS-0368387EN300-1454730(3S,4R)-1-(tert-Butoxycarbonyl)-4-(m-tolyl)pyrrolidine-3-carboxylic acid(3S,4R)-1-tert-butoxycarbonyl-4-(m-tolyl)pyrrolidine-3-carboxylic acid
이름 더 보기
BOC-(TRANS)-4-(3-메틸-페닐)-피롤리딘-3-카르복실산BOC-TRANS-DL-PRO(3-METHYLPHENYL)-OHBoc-trans-DL-b-Pro-4-(3-methylphenyl)-OHBoc-(trans)-4-(3-methyl-phenyl)-pyrrolidine-3-carboxylic acidBOC-(+/-)-TRANS-4-(3-METHYLPHENYL)-PYRROLIDINE-3-CARBOXYLIC ACIDBoc-(±)-trans-4-(3-methyl-phenyl)-pyrrolidine-3-carboxylic acid (Rel)(±)-trans-1-(t-Butoxycarbonyl)-4-(3-methylphenyl)pyrrolidine-3-carboxylic acid(±)-trans-1-(t-Butoxycarbonyl)-4-(3-methylphenyl)pyrrolidine-3-carboxylic acid
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 429
물리화학적 성질
- 끓는 점
- 454.4 · 454.4±45.0 °C(Predicted)
- 밀도
- 1.176 · 1.176±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.37 · 4.37±0.40(Predicted)
화학 및 산업
공급사3 곳
凯试（上海）科技有限公司021-50135380 · [email protected]
上海吉尔多肽有限公司+86-21-61263310 13764994101 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
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