Methyl (alphaR,betaS)-beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxybenzenepropanoate

HCID 11140973CAS 124605-42-1

기본 정보

표준 SMILES: COC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1
InChIKey: NCALQERIBRYGOK-NWDGAFQWSA-N
분자식: C15H21NO5
평균 분자량: 295.33 g/mol
단동위원소 질량: 295.14197277

이름 및 식별자

우선 이름: Methyl (alphaR,betaS)-beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxybenzenepropanoate
IUPAC: methyl (2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
영어명: Methyl (2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenylpropionate
분자식: C15H21NO5
분자량: 295.33

이름 및 동의어

124605-42-1DTXSID501132493RefChem:1089220DTXCID701564137Methyl (alphaR,betaS)-beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxybenzenepropanoate(2R,3S)-N-Boc-3-phenylisoserine methyl esterMethyl (2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenylpropionateMFCD09037385Methyl (2R,3S)-N-Boc-3-Phenylisoserinemethyl (2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoateBenzenepropanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-hydroxy-, methyl ester, (alphaR,betaS)-(2R,3S)-Methyl 3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoate

이름 더 보기

Docetaxel 15Boc-RS-iSer(3-Ph)-OMeDocetaxel Impurity 50Docetaxel Impurity 74Cabazitaxel Impurity 49METHYL (2R,3S)-N-BOC-3-PHENYL ISOSERINE(2R,3S)-N-Boc-3-Phenyl-isoserine Methyl esterMethyl (2R,3S)-N-tert-butoxycarbonyl-3-phenylisoserinate(2R,3S)-N-tert-butoxycarbonyl-3- phenylisoserinate methylMethyl (2R,3S)-3-(Boc-amino)-2-hydroxy-3-phenylpropanoate

methyl (2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoatemethyl (2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoate1352786-20-9NCALQERIBRYGOK-NWDGAFQWSA-NMethyl (2R,3S)-N-tert-butoxycarbonyl-3-phenyl isoserinate(2R,3S)-N-tert-butoxycarbonyl-3-phenyl-isoserine methyl ester(2R,3S)-N-Boc-3-Phenylisoserinemethylestermethyl (2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenyl-propanoate

데이터베이스 식별자

CAS: 124605-42-1
PubChem CID: 11140973
DTXSID: DTXSID501132493
EC Number: 602-999-4
Nikkaji: J1.501.346J

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 84.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 7
무거운 원자 수: 21
형식 전하: 0
복잡도: 358

물리화학적 성질

녹는점: 132 · 132-133°C
끓는 점: 443.3 · 443.3±45.0 °C(Predicted)
밀도: 1.17 · 1.170
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 11.22 · 11.22±0.46(Predicted)
InChI: InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-11(12(17)13(18)20-4)10-8-6-5-7-9-10/h5-9,11-12,17H,1-4H3,(H,16,19)
InChIKey: NCALQERIBRYGOK-UHFFFAOYSA-N
SMILES: C(OC)(=O)C(O)C(NC(OC(C)(C)C)=O)C1=CC=CC=C1

화학적 성질

off-white crystal powde

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

(4S,5R)-3-tert-butoxycarbony-2-(4-anisy)-4-phenyl-5-oxazolidinecarboxylic acid

공급사50 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

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湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

연결된 노트

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