기본 정보
- CAS
165727-45-7- 표준 SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CCl- InChIKey
GFGQSTIUFXHAJS-QWHCGFSZSA-N- 분자식
- C15H22ClNO3
- 평균 분자량
- 299.79 g/mol
- 단동위원소 질량
- 299.12882124
이름 및 식별자
- 우선 이름
- 1,1-Dimethylethyl N-((1S,2S)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl)carbamate
- IUPAC
- tert-butyl N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]carbamate
- 현지명
- (1S,2S)-(1-BENZYL-3-CHLORO-2-HYDROXY-PROPYL)-CARBAMICACIDTERT-BUTYL에스테르
- 영어명
- (1S, 2S)-(1-BENZYL-3-CHLORO-2-HYDROXY-PROPYL)-CARBAMIC ACID TERT-BUTYL ESTER
- 분자식
- C15H22ClNO3
- 분자량
- 299.79
이름 및 동의어
165727-45-7RefChem:10518161,1-Dimethylethyl N-((1S,2S)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl)carbamatetert-Butyl ((2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl)carbamate(1s,2s)-[3-chloro-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid 1,1-dimethylethyl estertert-butyl N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]carbamateMFCD02183480KAW3VT1CPJ959761-71-8(1s, 2s)-(1-benzyl-3-chloro-2-hydroxy-propyl)-carbamic acid tert-butyl esterCarbamic acid, [(1S,2S)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]-,1,1-dimethylethyl ester(1S,2S)-[3-Chloro-2-hydroxy-1-(phenylmethyl)-propyl]carbamic acid, 1,1-dimethylethyl ether
이름 더 보기
(1S,2S)-(1-BENZYL-3-CHLORO-2-HYDROXY-PROPYL)-CARBAMICACIDTERT-BUTYL에스테르(3S)-3-(tert-Butoxycarbonyl)amino-1-chloro-4-phenyl-(2S)-butanol(1S, 2S)-[3-Chloro-2-hydroxy-1-(phenylmethyl)-(3s)-1-Chloro-3-(Boc-amino)-4-Phenyl-2-Butanol(2S,3S)-N-t-butyloxycarbonyl-3-amino-1-chloro-2-phenylbutanol
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 58.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 298
물리화학적 성질
- 끓는 점
- 460.5 · 460.5±45.0 °C(Predicted)
- 밀도
- 1.153 · 1.153±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 11.92 · 11.92±0.46(Predicted)
화학 및 산업
상·하류 제품 정보
상류 원료
공급사72 곳
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
重庆欣博曜生物科技有限公司19122915778 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海华恩医药科技有限公司+86-13681955282 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
上海超悦化学科技有限公司（原上海斯比德化学）21-65679720 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
관련 반응
26건
화합물 노트
불러오는 중…