기본 정보
- CAS
159878-02-1- 표준 SMILES
O=C(N[C@@H](CSc1ccccc1)[C@H](O)CCl)OCc1ccccc1- InChIKey
YMCLVAZUQJPLTE-DLBZAZTESA-N- 분자식
- C18H20ClNO3S
- 평균 분자량
- 365.9 g/mol
- 단동위원소 질량
- 365.0852424
이름 및 식별자
- 우선 이름
- Benzyl ((2R,3S)-4-chloro-3-hydroxy-1-(phenylthio)butan-2-yl)carbamate
- IUPAC
- benzyl N-[(2R,3S)-4-chloro-3-hydroxy-1-phenylsulfanylbutan-2-yl]carbamate
- 영어명
- Benzyl (1R,2S)-3-chloro-2-hydroxy-1-(phenylthiomethyl)propylcarbamate
- 분자식
- C18H20ClNO3S
- 분자량
- 365.87
이름 및 동의어
159878-02-1Benzyl ((2R,3S)-4-chloro-3-hydroxy-1-(phenylthio)butan-2-yl)carbamate(2S,3R)-3-CARBOBENZYLOXYAMINO-1-CHLORO-4-PHENYLTHIO-BUTAN-2-OL(2s,3r)-3-n-cbz-amino-1-chloro-4-(phenylthio)butan-2-olbenzyl N-[(2R,3S)-4-chloro-3-hydroxy-1-phenylsulfanylbutan-2-yl]carbamateC18H20ClNO3SCarbamic acid,N-[(1R,2S)-3-chloro-2-hydroxy-1-[(phenylthio)methyl]propyl]-, phenylmethylesterYMCLVAZUQJPLTE-DLBZAZTESA-NBenzyl (1R,2S)-3-chloro-2-hydroxy-1-(phenylthiomethyl)propylcarbamateN-[(1R,2S)-3-Chloro-2-hydroxy-1-[(phenylthio)methyl]propyl]carbamic Acid Phenylmethyl EsterSCHEMBL5329730DTXSID70433260
이름 더 보기
chloroalcoholNelfinavir Impurity 66-Chloro-4(cyclopropylethynyl)-4-(trifluoro-methyl)-3(2S,3R)-N-Cbz-3-amino-1-chloro-4-(phenylthio)butan-2-ol(2S,3R)-3-(N-benzyloxycarbonyl)-amino-1-chloro-4-phenylthiobutan-2-
CS-M1556MFCD06411610AKOS015891243benzyl N-[(1R,2S)-3-chloro-2-hydroxy-1-(phenylsulfanylmethyl)propyl]carbamateCS-14357Benzyl (1R,2S)-3-chloro-2-hydroxy-1-(phenylthiomethyl)propylcarbamate-5Benzyl [(2R,3S)-4-chloro-3-hydroxy-1-(phenylsulfanyl)butan-2-yl]carbamatebenzyl((2R,3S)-4-chloro-3-hydroxy-1-(phenylthio)butan-2-yl)carbamate
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 83.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 360
물리화학적 성질
- 녹는점
- 114 · 114-116°C
- 끓는 점
- 559.9 · 559.9±50.0 °C(Predicted)
- 밀도
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 용해도
- 클로로포름, 메탄올에 용해됨
- 산도 계수 (pKa)
- 11.2 · 11.20±0.46(Predicted)
- 물리적 상태
- 고체
- 색상
- 하얀색
화학적 성질
White Solid
화학 및 산업
응용 분야
용도(2S,3R)-3-Carbobenzyloxyamino-1-chloro-4-phenylthio-butan-2-ol (cas# 159878-02-1) is a compound useful in organic synthesis.
공급사23 곳
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