(2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(3,5-dimethoxyphenyl)-2-hydroxypropanoic acid
기본 정보
- CAS
959577-97-0- 표준 SMILES
COc1cc(OC)cc([C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)O)c1- InChIKey
YVEASTJAAFHWES-STQMWFEESA-N- 분자식
- C16H23NO7
- 평균 분자량
- 341.36 g/mol
- 단동위원소 질량
- 341.14745207
이름 및 식별자
- 우선 이름
- (2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(3,5-dimethoxyphenyl)-2-hydroxypropanoic acid
- IUPAC
- (2S,3S)-3-(3,5-dimethoxyphenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- 영어명
- N-Boc-3-(S)-amino-2-(S)-hydroxy-3-(3,5-dimethoxy-phenyl)-propionic acid
- 분자식
- C16H23NO7
- 분자량
- 341.36
이름 및 동의어
959577-97-0(2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(3,5-dimethoxyphenyl)-2-hydroxypropanoic acid(2S,3S)-3-(3,5-dimethoxyphenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid(2S,3S)-3-[(TERT-BUTOXYCARBONYL)AMINO]-3-(3,5-DIMETHOXYPHENYL)-2-HYDROXYPROPANOIC ACIDDTXSID90376185AKOS015949607(2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(3,5-dimethoxyphenyl)-2-hydroxypropanoicacidN-Boc-3-(S)-amino-2-(S)-hydroxy-3-(3,5-dimethoxy-phenyl)-propionic acidN-(Tert-Butoxy)Carbonyl (2S,3S)-3-Amino-2-hydroxy-3-(3,5-dimethoxy-phenyl)propionic acidBenzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-3,5-dimethoxy-, (αS,βS)-N-Boc-3-N-Boc-3-(S)-amino-2-(S)-hydroxy-3-(3,5-dimethoxyphenyl)propionic acid-amino-2-(S)-hydroxy-3-(3,5-dimethoxyphenyl)propionic acid
데이터베이스 식별자
- CAS
959577-97-0- PubChem CID
- 2762388
- DTXSID
DTXSID90376185
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 423
물리화학적 성질
- 끓는 점
- 538.5 · 538.5±50.0 °C(Predicted)
- 밀도
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 3.49 · 3.49±0.19(Predicted)
관련 반응
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