Ethyl (3R,4S,5R)-5-azido-3-(1-ethylpropoxy)-4-hydroxycyclohex-1-ene-1-carboxylate
기본 정보
- CAS
204254-98-8- 표준 SMILES
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@@H](O)[C@H](N=[N+]=[N-])C1- InChIKey
ZVXCZNLVOFIJMG-UPJWGTAASA-N- 분자식
- C14H23N3O4
- 평균 분자량
- 297.35 g/mol
- 단동위원소 질량
- 297.16885622
이름 및 식별자
- 우선 이름
- Ethyl (3R,4S,5R)-5-azido-3-(1-ethylpropoxy)-4-hydroxycyclohex-1-ene-1-carboxylate
- IUPAC
- ethyl (3R,4S,5R)-5-azido-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate
- 영어명
- Ethyl (3R,4S,5R)-5-azido-3-(1-ethylpropoxy)-4-hydroxycyclohex-1-ene-1-carboxylate
- 분자량
- 0
이름 및 동의어
Ethyl (3R,4S,5R)-5-azido-3-(1-ethylpropoxy)-4-hydroxy-1-cyclohexene-1-carboxylateRefChem:593101ETHYL (3R,4S,5R)-5-AZIDO-3-(1-ETHYLPROPOXY)-4-HYDROXYCYCLOHEX-1-ENE-1-CARBOXYLATE805-633-3204254-98-8Oseltamivir Impurity 120ethyl (3R,4S,5R)-5-azido-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate(3R,4S,5R)-ethyl 5-azido-4-hydroxy-3-(pentan-3-yloxy)cyclohex-1-enecarboxylateethyl (3R,4S,5R)-5-azido-4-hydroxy-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate1-Cyclohexene-1-carboxylic acid, 5-azido-3-(1-ethylpropoxy)-4-hydroxy-, ethyl ester, (3R,4S,5R)-V3KGM2S7ZKSCHEMBL15481366
이름 더 보기
Oseltamivir Impurity145Oseltamivir Impurity 176Oseltamivir Impurity 166
데이터베이스 식별자
- CAS
204254-98-8- PubChem CID
- 9796234
- UNII
- V3KGM2S7ZK
- EC Number
- 805-633-3
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 70.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 428
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationREACH registered substance: Ethyl (3R,4S,5R)-5-azido-3-(1-ethylpropoxy)-4-hydroxycyclohex-1-ene-1-carboxylate (EC: 805-633-3)
Hazard Classes and CategoriesNot Classified
화학 및 산업
응용 분야
용도(3R,4S,5R)-Ethyl 5-azido-4-hydroxy-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate is an intermediate in the synthesis of (1R,5R,6R)-5-(1-Ethylpropoxy)-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylic Acid Ethyl Ester (E925510), an intermediate in the production of Oseltamivir.
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