(2S,4R)-5,5-Dimethyl-4-phenyl-3-tosyl-1,2,3-oxathiazolidine 2-oxide
기본 정보
- CAS
620627-47-6- 표준 SMILES
Cc1ccc(S(=O)(=O)N2[C@H](c3ccccc3)C(C)(C)O[S@@]2=O)cc1- InChIKey
DZGLQTPAHNAHBQ-MWTRTKDXSA-N- 분자식
- C17H19NO4S2
- 평균 분자량
- 365.5 g/mol
- 단동위원소 질량
- 365.07555043
이름 및 식별자
- 우선 이름
- (2S,4R)-5,5-Dimethyl-4-phenyl-3-tosyl-1,2,3-oxathiazolidine 2-oxide
- IUPAC
- (2S,4R)-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-4-phenyloxathiazolidine 2-oxide
- 영어명
- (R)-5,5-DiMethyl-4-phenyl-3-(toluene-4-sulfonyl)-[1,2,3]oxathiazolidine 2-oxide
- 분자식
- C17H19NO4S2
- 분자량
- 365.47
이름 및 동의어
620627-47-6(2S,4R)-5,5-Dimethyl-4-phenyl-3-tosyl-1,2,3-oxathiazolidine 2-oxideSCHEMBL4914526DZGLQTPAHNAHBQ-MWTRTKDXSA-N(2S, 4R)-5,5-DIMETHYL-4-PHENYL-3-(4-METHYL PHENYL-SULFONYL)-[1,2,3]-OXATHIAZOLIDINE-2-OXIDE(2S,4R)-5,5-DIMETHYL-4-PHENYL-3-(4-METHYL PHENYL-SULFONYL)-[1,2,3]-OXATHIAZOLIDINE-2-OXIDE2014-20090501(2S,4R)-5,5-dimethyl-4-phenyl-N-tosyl-1,2,3-oxathiazolidine 2-oxide(R)-5,5-DiMethyl-4-phenyl-3-(toluene-4-sulfonyl)-[1,2,3]oxathiazolidine 2-oxide1,2,3-Oxathiazolidine, 5,5-dimethyl-3-[(4-methylphenyl)sulfonyl]-4-phenyl-, 2-oxide, (2S,4R)-
데이터베이스 식별자
- CAS
620627-47-6- PubChem CID
- 57351597
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 91.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 570
물리화학적 성질
- 끓는 점
- 515.4 · 515.4±60.0 °C(Predicted)
- 밀도
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -17.58 · -17.58±0.60(Predicted)
관련 반응
2건
화합물 노트
불러오는 중…