Ethyl (1R,5R,6R)-7-(tert-butyl)-5-(pentan-3-yloxy)-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylate
기본 정보
- CAS
2417645-75-9- 표준 SMILES
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H]2[C@@H](C1)N2C(C)(C)C- InChIKey
UXYQFYXXRVMJMV-OJEBHDCCSA-N- 분자식
- C18H31NO3
- 평균 분자량
- 309.4 g/mol
- 단동위원소 질량
- 309.23039385
이름 및 식별자
- 우선 이름
- Ethyl (1R,5R,6R)-7-(tert-butyl)-5-(pentan-3-yloxy)-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylate
- IUPAC
- ethyl (1R,5R,6R)-7-tert-butyl-5-pentan-3-yloxy-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylate
- 영어명
- 7-Azabicyclo[4.1.0]hept-3-ene-3-carboxylic acid, 7-(1,1-dimethylethyl)-5-(1-ethylpropoxy)-, ethyl ester, (1R,5R,6R)-
- 분자식
- C18H31NO3
- 분자량
- 309.44
이름 및 동의어
2417645-75-9Ethyl (1R,5R,6R)-7-(tert-butyl)-5-(pentan-3-yloxy)-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylateOseltamivir Impurity 82Ethyl (1R,5R,6R)-7-(1,1-dimethylethyl)-5-(1-ethylpropoxy)-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylate(1R,5R,6R)-ethyl 7-(tert-butyl)-5-(pentan-3-yloxy)-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylateDN543D56FFSCHEMBL296244947-Azabicyclo[4.1.0]hept-3-ene-3-carboxylic acid, 7-(1,1-dimethylethyl)-5-(1-ethylpropoxy)-, ethyl ester, (1R,5R,6R)-CS-0164922H42774(1R,5R,6R)-ethyl 7-tert-butyl-5-(pentan-3-yloxy)-7-aza-bicyclo[4.1.0]hept-3-ene-3-carboxylateEthyl (1R,5R,6R)-7-(tert-butyl)-5-(pentan-3-yloxy)-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylate (Oseltamivir Impurity pound(c)
이름 더 보기
Oseltamivir Impurity 148ethyl (3R,4S,5R)-4,5-(1,1-dimethylethyl)imino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate(1R,5R,6R)-7-tert-Butyl-5-(pentane-3-oxy)-7-aminobiscyclic[4.1.0]hept-3-ene-3-carboxylic acid Ethyl esterEthyl (1R,5R,6R)-7-(tert-butyl)-5-(pentan-3-yloxy)-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylate (Oseltamivir Impurity）Oseltamivir?Impurity?58/Ethyl?(1R,5R,6R)-7-(tert-butyl)-5-(pentan-3-yloxy)-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylate(1 r, 5 r, 6 r) - 7 - tert-butyl - 5 - (pentane - 3 - oxygen radicals) - 7 - nitrogen mixed double loop - 3 - [4.1.0] g ene - 3 - carboxylic acid ethyl ester
데이터베이스 식별자
- CAS
2417645-75-9- PubChem CID
- 134990133
- UNII
- DN543D56FF
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 38.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 434
물리화학적 성질
- 끓는 점
- 381.912 · 381.912±42.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.034 · 1.034±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 저장 조건
- 2 · 2-8°C, protect from light
- 산도 계수 (pKa)
- 5.854 · 5.854±0.60(predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
관련 반응
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