(Z)-tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-ethoxy-2-oxoethylidene)amino)oxy)-2-methylpropanoate
기본 정보
- CAS
86299-46-9- 표준 SMILES
CCOC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c1csc(N)n1- InChIKey
GVGJDTAQZPCVCX-ZDLGFXPLSA-N- 분자식
- C15H23N3O5S
- 평균 분자량
- 357.4 g/mol
- 단동위원소 질량
- 357.13584202
이름 및 식별자
- 우선 이름
- (Z)-tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-ethoxy-2-oxoethylidene)amino)oxy)-2-methylpropanoate
- IUPAC
- tert-butyl 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-ethoxy-2-oxoethylidene]amino]oxy-2-methylpropanoate
- 영어명
- Ethyl 2-(2-aminothiazole-4-yl)-2-(1-tert-butoxycarbonyl-1-methylethoxyimino)acetate
- 분자식
- C15H23N3O5S
- 분자량
- 357.43
이름 및 동의어
(Z)-tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-ethoxy-2-oxoethylidene)amino)oxy)-2-methylpropanoate4-Thiazoleacetic acid, 2-amino-alpha-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-, ethyl ester, (Z)-C15H23N3O5SMFCD00062759Ethyl 2-(2-aminothiazole-4-yl)-2-(1-tert-butoxycarbonyl-1-methylethoxyimino)acetateethyl (2Z)-2-(2-amino(1,3-thiazol-4-yl))-3-{1-[(tert-butyl)oxycarbonyl]-isopro poxy}-3-azaprop-2-enoateCefmenoxime Impurity 29SCHEMBL8314085A883R3V22M(Z)-t-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-ethoxy-2-oxoethylidene)amino)oxy)-2-methylpropanoatetert-butyl (Z)-2-(((1-(2-aminothiazol-4-yl)-2-ethoxy-2-oxoethylidene)amino)oxy)-2-methylpropanoateSBB057569
이름 더 보기
ATTBACefotaxime side chain acidCeftazidime side chain acidO,O-Diethylthiophosphoryl(Z)-2...iazole-4-yl)-2-(1-tert-butoxycarbonyl-1-ethyl-(Z)-2-(2-aminothiazol-4-yl)-2-butoxycarbonylprop-2-oxyimino)-acetate2-(2-AMINOTHIAZOLE-4YL)-2-(TERT-BUTOXYCARBONYL)-ISOPROPOXYIMINO ACETIC ACID(Z)-(2-Aminothiazol-4-yl)-2-(tert-butoxycarbonyl)-isopropoxyiminoacetic aci2-(2-AMINOTHIAZOLE-4-YL)-2-[2-(TERTBUTOXYCARBONYL)ISOPROPOXYIMINO]ACETIC ACIDETHYL (Z)-2-(TERT-BUTOXYCARBONYL METHOXYIMINO)-2-(2-AMINOTHIAZOL-4-YL) ACETATE
AKOS024306918DS-15260CS-0151935ST50307130A11620F429731(Z)-tert-Butyl2-(((1-(2-aminothiazol-4-yl)-2-ethoxy-2-oxoethylidene)amino)oxy)-2-methylpropanoate2-[(2-AMINOTHIAZOL-4-YL)ETHOXYCARBONYLMETHYLENEAMINOOXY]-2-METHYLPROPIONIC ACID TERT-BUTYL ESTER
데이터베이스 식별자
- CAS
86299-46-9- PubChem CID
- 6242376
- UNII
- A883R3V22M
- Nikkaji
- J3.642.756F
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 141 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 502
물리화학적 성질
- 녹는점
- 168 · 168-174°C
- 끓는 점
- 462.8 · 462.8±51.0 °C(Predicted)
- 밀도
- 1.275 · 1.2750 (rough estimate)
- 굴절률
- 1.639 · 1.6390 (estimate)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 산도 계수 (pKa)
- 1.31 · 1.31±0.10(Predicted)
- 수용성
- 불용성
- InChI
- InChI=1S/C15H23N3O5S/c1-7-21-11(19)10(9-8-24-13(16)17-9)18-23-15(5,6)12(20)22-14(2,3)4/h8H,7H2,1-6H3,(H2,16,17)/b18-10-
- InChIKey
- GVGJDTAQZPCVCX-ZDLGFXPLSA-N
- SMILES
- C(/C1N=C(SC=1)N)(\C(=O)OCC)=N\OC(C)(C)C(=O)OC(C)(C)C
화학적 성질
light beige granular crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- safety_code
- 24/25
화학 및 산업
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