기본 정보
- CAS
93603-76-0- 표준 SMILES
C=CCOC(=O)C1=C(SCCC)S[C@@H]2[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N12- InChIKey
JFTTZXLBJMJLJT-JKIFEVAISA-N- 분자식
- C20H33NO4S2Si
- 평균 분자량
- 443.7 g/mol
- 단동위원소 질량
- 443.16202742
이름 및 식별자
- 우선 이름
- 4-Thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-(((1,1-dimethylethyl)dimethylsilyl)oxy)ethyl)-7-oxo-3-(propylthio)-, 2-propenyl ester, (5R-(5alpha,6alpha(R*)))-
- IUPAC
- prop-2-enyl (5R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-oxo-3-propylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
- 영어명
- allyl(5R,6S)-6-((R)-1-((tert-butyldimethylsilyl)oxy)ethyl)-7-oxo-3-(propylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
- 분자식
- C20H33NO4S2Si
- 분자량
- 443.69582
이름 및 동의어
93603-76-04-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-7-oxo-3-(propylthio)-, 2-propenyl ester, [5R-[5alpha,6alpha(R*)]]-4-Thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-(((1,1-dimethylethyl)dimethylsilyl)oxy)ethyl)-7-oxo-3-(propylthio)-, 2-propenyl ester, (5R-(5alpha,6alpha(R*)))-RefChem:296461AE4P3J523DSCHEMBL21667398DTXSID101099382Allyl (5R,6S)-6-((R)-1-((tert-butyldimethylsilyl)oxy)ethyl)-7-oxo-3-(propylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-7-oxo-3-(propylthio)-, 2-propenyl ester, [5R-[5I+/-,6I+/-(R*)]]-EOS-6199686. Sulopenemallyl(5R,6S)-6-((R)-1-((tert-butyldimethylsilyl)oxy)ethyl)-7-oxo-3-(propylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
이름 더 보기
4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-7-oxo-3-(propylthio)-, 2-propenyl ester, [5R-[5α,6α(R*)]]- (9CI)
데이터베이스 식별자
- CAS
93603-76-0- PubChem CID
- 71473311
- DTXSID
DTXSID101099382- UNII
- AE4P3J523D
- EC Number
- 820-260-6
물성
구조 계산 물성
- 극성 표면적
- 106 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 672
물리화학적 성질
- 끓는 점
- 519.6 · 519.6±50.0 °C(Predicted)
- 밀도
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -4.98 · -4.98±0.70(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, 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.
유해성 정보
Regulatory InformationREACH registered substance: (5R,6S)-allyl 6-((R)-1-(tert-butyldimethylsilyloxy)ethyl)-7-oxo-3-(propylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (EC: 820-260-6)
Hazard Classes and CategoriesSkin Sens. 1 (100%)
안전 데이터
- 신호 어
- Danger
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H317
화학 및 산업
공급사6 곳
Senova Technology Co. Ltd.+86-0755-86703119 +86-18503098836 · [email protected]
德州博腾精细化工有限公司[email protected]
上海智乾生物科技有限公司[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
宁波卡瑞欧化工科技有限公司0574-27891269 18667892864 · [email protected]
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