기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)N1[C@H](CF)[C@@H](c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)OC1(C)C- InChIKey
FXFTWFBHWKIGAP-QZTJIDSGSA-N- 분자식
- C23H35BFNO5
- 평균 분자량
- 435.3 g/mol
이름 및 식별자
- 우선 이름
- (4S,5R)-Rel-tert-butyl4-(fluoromethyl)-2,2-dimethyl-5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)oxazolidine-3-carboxylate
- IUPAC
- tert-butyl (4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidine-3-carboxylate
이름 및 동의어
(4S,5R)-TERT-BUTYL 4-(FLUOROMETHYL)-2,2-DIMETHYL-5-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)OXAZOLIDINE-3-CARBOXYLATE1382801-14-0(4S,5R)-Rel-tert-butyl4-(fluoromethyl)-2,2-dimethyl-5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)oxazolidine-3-carboxylate1402659-58-8starbld0018189SCHEMBL15239802FXFTWFBHWKIGAP-QZTJIDSGSA-Ntert-butyl (4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidine-3-carboxylate(4S,5R)-4-Fluoromethyl-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-oxazolidine-3-carboxylic acid tert-butyl ester
데이터베이스 식별자
- PubChem CID
- 58631114
물성
구조 계산 물성
- 극성 표면적
- 57.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 653
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10건
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