기본 정보
- CAS
204254-92-2- 표준 SMILES
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@@H](O)[C@H](OS(C)(=O)=O)C1- InChIKey
XZBIOECQKNRLEH-MGPQQGTHSA-N- 분자식
- C15H26O7S
- 평균 분자량
- 350.4 g/mol
- 단동위원소 질량
- 350.13992434
이름 및 식별자
- 우선 이름
- (3R,4R,5R)-Ethyl 4-hydroxy-5-((methylsulfonyl)oxy)-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate
- IUPAC
- ethyl (3R,4R,5R)-4-hydroxy-5-methylsulfonyloxy-3-pentan-3-yloxycyclohexene-1-carboxylate
- 영어명
- (3R,4R,5R)-3-(1-Ethylpropoxy)-4-hydroxy-5-[(Methylsulfonyl)oxy]-1-cyclohexene-1-carboxylic Acid Ethyl Ester
- 분자식
- C15H26O7S
- 분자량
- 350.43
이름 및 동의어
204254-92-2Oseltamivir Impurity 59(3R,4R,5R)-Ethyl 4-hydroxy-5-((methylsulfonyl)oxy)-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate(3R,4R,5R)-3-(1-Ethylpropoxy)-4-hydroxy-5-[(methylsulfonyl)oxy]-1-cyclohexene-1-carboxylic Acid Ethyl EsterEthyl (3R,4R,5R)-4-hydroxy-5-methylsulfonyloxy-3-pentan-3-yloxycyclohexene-1-carboxylate(3R,4R,5R)-3-(1-Ethylpropoxy)-4-hydroxy-5-[(methylsulfonyl)oxy]-1-cyclohexene-1-carboxylic Acid Ethy4F6KD39DMXSCHEMBL1255103SY455867DB-309914H407511-CYCLOHEXENE-1-CARBOXYLIC ACID, 3-(1-ETHYLPROPOXY)-4-HYDROXY-5-[(METHYLSULFONYL)OXY]-, ETHYL ESTER, (3R,4R,5R)-
이름 더 보기
Oseltamivir Impurity 86XZBIOECQKNRLEH-MGPQQGTHSA-N(1S,5R,6S)-ethyl 5-(sec-butoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylateethyl (3R,4R,5R)-3-(1-ethyl-propoxy)-4-hydroxy-5-methanesulfonyloxycyclohex-1-ene-1-carboxylateEthyl (3R,4R,5R)-4-hydroxy-5-((methylsulfonyl)oxy)-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate (Oseltamivir Impurity）Ethyl (3R,4R,5R)-4-hydroxy-5-((methylsulfonyl)oxy)-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate/(3R,4R,5R)-3-(1-Ethylpropoxy)-4-hydroxy-5-[(methylsulfonyl)oxy]-1-cyclohexene-1-carboxylic acid ethyl ester
1-Cyclohexene-1-carboxylic acid, 3-(1-ethylpropoxy)-4-hydroxy-5-[(methylsulfonyl)oxy]-, ethyl ester, [3R-(3alpha,4alpha,5beta)]-Ethyl (3R,4R,5R)-3-(1-ethylpropoxy)-4-hydroxy-5-[(methylsulfonyl)oxy]-1-cyclohexene-1-carboxylateethyl (3R,4R,5R)-4-hydroxy-5-((methylsulfonyl)oxy)-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylateEthyl (3R,4R,5R)-4-Hydroxy-5-[(methylsulfonyl)oxy]-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate
데이터베이스 식별자
- CAS
204254-92-2- PubChem CID
- 9863235
- UNII
- 4F6KD39DMX
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 516
물리화학적 성질
- 녹는점
- 66 · 66-68°C
- 끓는 점
- 499.8 · 499.8±45.0 °C(Predicted)
- 밀도
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 12.87 · 12.87±0.70(Predicted)
- 색상
- 흰색에서 황백색까지
화학 및 산업
응용 분야
용도(3R,4R,5R)-3-(1-Ethylpropoxy)-4-hydroxy-5-[(Methylsulfonyl)oxy]-1-cyclohexene-1-carboxylic Acid Ethyl Ester is used in the synthesis of novel neuraminidase inhibitors as avian influenza anti-viral agents.
상·하류 제품 정보
하류 제품
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…