기본 정보
- 표준 SMILES
Cc1ccc(S(=O)(=O)OC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)cc1- InChIKey
KBDJCRUNHXFKLI-AWEZNQCLSA-N- 분자식
- C18H27NO6S
- 평균 분자량
- 385.5 g/mol
- 단동위원소 질량
- 385.15590875
이름 및 식별자
- 우선 이름
- ((S)-3-(Tert-butoxycarbonyl)-2,2-dimethyloxazolidin-4-YL)methyl 4-methylbenzenesulfonate
- IUPAC
- tert-butyl (4S)-2,2-dimethyl-4-[(4-methylphenyl)sulfonyloxymethyl]-1,3-oxazolidine-3-carboxylate
이름 및 동의어
140645-28-93-BOC-(4S)-Tosyloxymethyl-2,2-dimethyloxazolidineMFCD11041414((S)-3-(TERT-BUTOXYCARBONYL)-2,2-DIMETHYLOXAZOLIDIN-4-YL)METHYL 4-METHYLBENZENESULFONATETert-butyl (4S)-2,2-dimethyl-4-[(4-methylphenyl)sulfonyloxymethyl]-1,3-oxazolidine-3-carboxylateKBDJCRUNHXFKLI-AWEZNQCLSA-NSCHEMBL2669188BS-27374SY463009TERT-BUTYL (4S)-2,2-DIMETHYL-4-{[(4-METHYLBENZENESULFONYL)OXY]METHYL}-1,3-OXAZOLIDINE-3-CARBOXYLATEEN300-7388346(S)-(3-Boc-2,2-dimethyloxazolidin-4-yl)methyl Tosylate
이름 더 보기
t-butyl (S)-2,2-dimethyl-4-(p-tolylsulfonyloxymethyl)-3-oxazolidinecaboxylatet-butyl (S)-2,2-dimethyl-4-(p-tolylsulfonyloxymethyl)-3-oxazolidinecarboxylatetert-butyl (4S)-2,2-dimethyl-4-(p-tolylsulfonyloxymethyl)oxazolidine-3-carboxylate(S)-2,2-Dimethyl4-(toluene-4-sulfonyloxymethyl)-oxazolidine-3-carboxylic acid tert-butyl ester(S)-2,2-Dimethyl4-(toluene4-sulfonyloxymethyl)-oxazolidine-3-carboxylic acid tert-butyl ester
데이터베이스 식별자
- PubChem CID
- 10786336
- Nikkaji
- J2.470.658C
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 90.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 596
관련 반응
11건
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