Benzyl ((2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl)carbamate

HCID 10860587

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

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]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
深圳市华信医药科技有限公司15671363360 · [email protected]

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