기본 정보
- CAS
128018-43-9- 표준 SMILES
O=C(N[C@@H](Cc1ccccc1)[C@H](O)CCl)OCc1ccccc1- InChIKey
YNJAOKKAXVGEIH-DLBZAZTESA-N- 분자식
- C18H20ClNO3
- 평균 분자량
- 333.8 g/mol
- 단동위원소 질량
- 333.1131712
이름 및 식별자
- 우선 이름
- Benzyl ((2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl)carbamate
- IUPAC
- benzyl N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]carbamate
- 영어명
- (2S,3S)-3-(Benzyloxycarbonylamino)-1-chloro-2-hydroxy-4-phenylbutane
- 분자식
- C18H20ClNO3
- 분자량
- 333.81
이름 및 동의어
128018-43-9(2S,3S)-3-(BENZYLOXYCARBONYLAMINO)-1-CHLORO-2-HYDROXY-4-PHENYLBUTANEBenzyl ((2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl)carbamatebenzyl N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]carbamateBenzyl [(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]carbamateYNJAOKKAXVGEIH-DLBZAZTESA-NSCHEMBL2577615DTXSID90446231N-CBZ-3(S)-amino-1-chloro-4-phenyl-2(S)-butanolN-Cbz-3-(S)-amino-1-chloro-4-phenyl-2(S)-butanol3(S)-(benzyloxyformamido)-1-chloro-4-phenyl-2(S)-butanolN-benzyloxycarbonyl-3(S)-amino-1-chloro-4-phenyl-2(S)-butanol
이름 더 보기
Fosamprenavir Impurity 9Benzyl (2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-ylcarbamate(2S,3S)-3-(Benzyloxycarbonylamino)-1-chloro-2-hydroxy-4-phen...Carbamic acid, N-[(1S,2S)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]-, phenylmethyl ester
N-benzyloxycarbonyl-3(S)-amino-1-chloro-4-phenyl-2(S)butanolN-benzyloxycarbonyl-3(S)-amino-1-chloro-4-phenyl2(S)-butanoln-benzyloxycarbonyl-3(s)-amino-l-chloro-4-phenyl-2(s)-butanolN-benzyloxycarbonyl-3(S)-amino1-chloro4-phenyl-2(S)-butanolBenzyl((2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl)carbamateN-benzyloxycarbonyl-3 (S)-amino-1-chloro-4 -phenyl-2(S)butanolN-benzyloxycarbonyl-3 (S)-amino-1-chloro-4-phenyl-2 (S)-butanolN-benzyloxycarbonyl-3 (S)-amino-1-chloro-4-phenyl-2(S)-butanol
데이터베이스 식별자
- CAS
128018-43-9- PubChem CID
- 10860587
- DTXSID
DTXSID90446231- Nikkaji
- J2.083.532J
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 58.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 341
물리화학적 성질
- 녹는점
- 153 · 153-154 °C(Solv: hexane (110-54-3); ethyl acetate (141-78-6))
- 끓는 점
- 535.1 · 535.1±50.0 °C(Predicted)
- 밀도
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.72 · 11.72±0.46(Predicted)
화학 및 산업
공급사15 곳
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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