기본 정보
- CAS
99953-00-1- 표준 SMILES
Cc1cc(O)cc(C)c1C[C@H](NC(=O)OC(C)(C)C)C(=O)O- InChIKey
QSKQZXRPUXGSLR-ZDUSSCGKSA-N- 분자식
- C16H23NO5
- 평균 분자량
- 309.36 g/mol
- 단동위원소 질량
- 309.15762284
이름 및 식별자
- 우선 이름
- (S)-2-tert-Butoxycarbonylamino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionic acid
- IUPAC
- (2S)-3-(4-hydroxy-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- 현지명
- L-티로신,N[(1,1-디메틸레톡시)카르보닐]-2,6
- 영어명
- L-TYROSINE, N[(1,1-DIMETHYLETHOXY) CARBONYL] -2,6
- 분자식
- C16H23NO5
- 분자량
- 309.36
이름 및 동의어
(S)-2-tert-Butoxycarbonylamino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionic acidRefChem:407954800-790-499953-00-1N-Boc-2,6-Dimethyl-L-tyrosine(S)-2-((tert-Butoxycarbonyl)amino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acidBoc-2,6-dimethyl-L-tyrosineMFCD01860643(S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid(2S)-3-(4-hydroxy-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidBoc-L-2,6-Dimethyltyrosine
이름 더 보기
L-티로신,N[(1,1-디메틸레톡시)카르보닐]-2,6N-[(1,1-Dimethylethoxy)carbonyl]-2,6-dimethyl-L-tyrosine-3-(4-hydroxy-2,6-dimethylphenyl)L-TYOSINE, N[(1,1-DIMETHYLETHOXY) CARBONYLN-tert-Butoxycarbonyl-2,6-dimethyl-L-tyrosineL-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-2-(tert-butoxycarbonylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 95.9 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 392
물리화학적 성질
- 녹는점
- 174 · 174-177 °C
- 끓는 점
- 512 · 512.0±50.0 °C(Predicted)
- 밀도
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 3.06 · 3.06±0.10(Predicted)
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
안전 데이터
- HS 번호
- 2922500090
화학 및 산업
공급사76 곳
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