기본 정보
- CAS
1313410-87-5- 표준 SMILES
CC(C)(C)OC(=O)N1CC[C@H](OS(C)(=O)=O)[C@H](F)C1- InChIKey
IBRYORODRHGOCR-BDAKNGLRSA-N- 분자식
- C11H20FNO5S
- 평균 분자량
- 297.35 g/mol
- 단동위원소 질량
- 297.10462207
이름 및 식별자
- 우선 이름
- Tert-butyl cis-3-fluoro-4-(methylsulfonyloxy)piperidine-1-carboxylate
- IUPAC
- tert-butyl (3R,4S)-3-fluoro-4-methylsulfonyloxypiperidine-1-carboxylate
이름 및 동의어
tert-butyl cis-3-fluoro-4-(methylsulfonyloxy)piperidine-1-carboxylate1313410-87-5tert-butyl (3R,4S)-3-fluoro-4-methylsulfonyloxypiperidine-1-carboxylate1-Piperidinecarboxylic acid, 3-fluoro-4-[(methylsulfonyl)oxy]-, 1,1-dimethylethyl ester, (3R,4S)-1070897-23-2SCHEMBL729879IBRYORODRHGOCR-BDAKNGLRSA-NDTXSID401115816(3R,4S)-tert-butyl 3-fluoro-4-(methylsulfonyloxy)piperidine-1-carboxylate(cis)-tert-butyl 3-fluoro-4-(methylsulfonyloxy)piperidine-1-carboxylate(3S,4R)-tert-Butyl 3-fluoro-4-((methylsulfonyl)oxy)piperidine-1-carboxylatetert-Butyl (3R,4S)-3-fluoro-4-[(methanesulfonyl)oxy]piperidine-1-carboxylate
데이터베이스 식별자
- CAS
1313410-87-5- PubChem CID
- 52324470
- DTXSID
DTXSID401115816
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 81.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 425
관련 반응
6건
화합물 노트
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