기본 정보
- CAS
1620129-74-9- 표준 SMILES
CC(C)(C)OC(=O)NC(CC(=O)O)Cc1cc(F)c(F)cc1F- InChIKey
TUAXCHGULMWHIO-UHFFFAOYSA-N- 분자식
- C15H18F3NO4
- 평균 분자량
- 333.3 g/mol
이름 및 식별자
- 우선 이름
- Boc-(R)-3-Amino-4-(2,4,5-trifluoro-phenyl)-butyric acid
- IUPAC
- 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic acid
- 영어명
- 3-(Boc-amino)-4-(2,4,5-trifluorophenyl)butyric Acid
- 분자식
- C15H18F3NO4
- 분자량
- 333.3
이름 및 동의어
1620129-74-93-{[(tert-butoxy)carbonyl]amino}-4-(2,4,5-trifluorophenyl)butanoic acidBoc-(R)-3-Amino-4-(2,4,5-trifluoro-phenyl)-butyric acid3-(Boc-amino)-4-(2,4,5-trifluorophenyl)butyric AcidMFCD262272833-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic acid3-((tert-Butoxycarbonyl)amino)-4-(2,4,5-trifluorophenyl)butanoic acidN-Boc-(S)-2,4,5-trifluoro-b-homophenylalanineSCHEMBL342708MY86R572MPTUAXCHGULMWHIO-UHFFFAOYSA-NSTR09370
이름 더 보기
Sitagliptin KSM-1Boc-DL-beta-Homophe(2,4,5-DiF)-OHBenzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-2,4,5-trifluoro-β-?[[(1,?1-?dimethylethoxy)?carbonyl]?amino]?-?2,?4,?5-?trifluoro-Benzenebutanoic acidSitagliptin Impurity 61Q: What is Sitagliptin Impurity 61 Q: What is the CAS Number of Sitagliptin Impurity 61
AC4607AKOS030525018SY224968EN300-1071260Boc-(R)-3-Amino-4-(2.4.5-trifluoromethyl) butyrateBoc-(R)-3-Amino-4-(2,4,5-trifluorophenyl)butyric acid3-(tert-butoxycarbonylamino)-4-(2,4,5-trifluorophenyl)butanoic acid3-tert-butoxycarbonylamino-4-(2,4,5-trifluoro-phenyl)-butyric acid
데이터베이스 식별자
- CAS
1620129-74-9- PubChem CID
- 21911205
- UNII
- MY86R572MP
- Nikkaji
- J2.287.875A
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 75.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 427
물리화학적 성질
- 끓는 점
- 443.1 · 443.1±45.0 °C(Predicted)
- 밀도
- 1.292 · 1.292±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.3 · 4.30±0.10(Predicted)
화학 및 산업
공급사10 곳
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
希瓦生物科技(广州)有限公司13268215580 · [email protected]
山东博洛达生物科技有限公司0531-68659041 · [email protected]
台州川旭医药科技有限公司[email protected] · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
上海语锌医药科技有限公司15921286451; 15921286451 · [email protected]
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