기본 정보
- CAS
95687-42-6- 표준 SMILES
Cc1ccc(S(=O)(=O)OC[C@@H]2C[C@@H](OS(=O)(=O)c3ccc(C)cc3)CN2C(=O)OCc2ccccc2)cc1- InChIKey
AKRRZBQIGJJBFF-BJKOFHAPSA-N- 분자식
- C27H29NO8S2
- 평균 분자량
- 559.7 g/mol
- 단동위원소 질량
- 559.13345923
이름 및 식별자
- 우선 이름
- (2S,4R)-benzyl 4-(tosyloxy)-2-((tosyloxy)methyl)pyrrolidine-1-carboxylate
- IUPAC
- benzyl (2S,4R)-4-(4-methylphenyl)sulfonyloxy-2-[(4-methylphenyl)sulfonyloxymethyl]pyrrolidine-1-carboxylate
이름 및 동의어
SCHEMBL9587450AKRRZBQIGJJBFF-BJKOFHAPSA-NDTXSID701104830(2S,4R)-benzyl 4-(tosyloxy)-2-((tosyloxy)methyl)pyrrolidine-1-carboxylateAKOS00027839795687-42-6(2S,4R)-1-(Carbobenzyloxy)-2-(4-toluenesulfonyloxymeth- yl)-4-(4-toluenesulfonyloxy)-pyrrolidine(2S,4R)-1-(Carbobenzyloxy)-2-(4-toluenesulfonyloxymethyl)-4-(4-toluenesulfonyloxy)-pyrrolidine(2S,4R)-1-(carbobenzyloxy)-2-(p-toluenesulfonyloxymeth- yl)-4-(4-toluenesulfonyloxy)-pyrrolidine(2S,4R)-1-(carbobenzyloxy)-2-(p-toluenesulfonyloxymethyl)-4-(4-toluenesulfonyloxy)-pyrrolidinePhenylmethyl (2S,4R)-4-[[(4-methylphenyl)sulfonyl]oxy]-2-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-pyrrolidinecarboxylate
데이터베이스 식별자
- CAS
95687-42-6- PubChem CID
- 14994792
- DTXSID
DTXSID701104830
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 133 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 968
관련 반응
5건
화합물 노트
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