(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl methanesulfonate
기본 정보
- CAS
133775-26-5- 표준 SMILES
C[C@@H](OS(C)(=O)=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F- InChIKey
SFXKCYSWTNZNHM-NOZJJQNGSA-N- 분자식
- C13H15F2N3O4S
- 평균 분자량
- 347.34 g/mol
- 단동위원소 질량
- 347.0751334
이름 및 식별자
- 우선 이름
- (2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl methanesulfonate
- IUPAC
- [(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl] methanesulfonate
- 영어명
- (2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl methanesulfonate
- 분자식
- C13H15F2N3O4S
- 분자량
- 347.34
이름 및 동의어
133775-26-5(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl methanesulfonateSCHEMBL9045287SFXKCYSWTNZNHM-NOZJJQNGSA-NDTXSID6011143332,3-Butanediol, 2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, 3-methanesulfonate, [R-(R*,R*)]-(2R,3R)-2-(2,4-difluorophenyl)-3-methanesulfonyloxy-1-(1H-1,2,4-triazol-1-yl)-2-butanolEFINACONAZOLE (2R,3R)-DIOL O- METHANESULFONATE(2R,3R)-3-(2,4-Difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol...(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl methanesulfonate(WXG00772)2,3-Butanediol, 2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, 3-methanesulfonate, [R-(R*,R*)]- (9CI)
데이터베이스 식별자
- CAS
133775-26-5- PubChem CID
- 14706441
- DTXSID
DTXSID601114333
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 504
물리화학적 성질
- 끓는 점
- 586.6 · 586.6±60.0 °C(Predicted)
- 밀도
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.19 · 11.19±0.29(Predicted)
관련 반응
2건
화합물 노트
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