기본 정보
- CAS
914498-28-5- 표준 SMILES
CC1(C)OC[C@H](COS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N1C(=O)OCc1ccccc1- InChIKey
VRKBWOCZGWYWPB-QGZVFWFLSA-N- 분자식
- C20H22N2O8S
- 평균 분자량
- 450.5 g/mol
- 단동위원소 질량
- 450.10968666
이름 및 식별자
- 우선 이름
- Phenylmethyl (4R)-2,2-dimethyl-4-((((4-nitrophenyl)sulfonyl)oxy)methyl)-3-oxazolidinecarboxylate
- IUPAC
- benzyl (4R)-2,2-dimethyl-4-[(4-nitrophenyl)sulfonyloxymethyl]-1,3-oxazolidine-3-carboxylate
이름 및 동의어
914498-28-5Phenylmethyl (4R)-2,2-dimethyl-4-[[[(4-nitrophenyl)sulfonyl]oxy]methyl]-3-oxazolidinecarboxylatePhenylmethyl (4R)-2,2-dimethyl-4-((((4-nitrophenyl)sulfonyl)oxy)methyl)-3-oxazolidinecarboxylateRefChem:369864SCHEMBL2156340VRKBWOCZGWYWPB-QGZVFWFLSA-NDTXSID701116920benzyl (4R)-2,2-dimethyl-4-({[(4-nitrophenyl)sulfonyl]oxy}methyl)-1,3-oxazolidine-3-carboxylateBenzyl (4R)-2,2-dimethyl-4-{[(4-nitrobenzene-1-sulfonyl)oxy]methyl}-1,3-oxazolidine-3-carboxylate
데이터베이스 식별자
- CAS
914498-28-5- PubChem CID
- 86629786
- DTXSID
DTXSID701116920
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 136 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 731
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