기본 정보
- 표준 SMILES
COC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2ccc(Br)cc2)CN1C(=O)OC(C)(C)C- InChIKey
QDSVLWCXASHQMV-JSGCOSHPSA-N- 분자식
- C17H22BrNO7S
- 평균 분자량
- 464.3 g/mol
- 단동위원소 질량
- 463.03004
이름 및 식별자
- 우선 이름
- 1-(tert-Butyl) 2-methyl (2S,4S)-4-(((4-bromophenyl)sulfonyl)oxy)pyrrolidine-1,2-dicarboxylate
- IUPAC
- 1-O-tert-butyl 2-O-methyl (2S,4S)-4-(4-bromophenyl)sulfonyloxypyrrolidine-1,2-dicarboxylate
이름 및 동의어
438452-29-01-(tert-Butyl) 2-methyl (2S,4S)-4-(((4-bromophenyl)sulfonyl)oxy)pyrrolidine-1,2-dicarboxylate2-Methyl 1-(2-methyl-2-propanyl)(2S,4S)-4-{[(4-bromophenyl)sulfonyl]oxy}-1,2-pyrrolidinedicarboxylate1-tert-butyl 2-methyl (2S,4S)-4-[((4-bromophenyl)sulfonyl)oxy]pyrrolidine-1,2-dicarboxylate1-tert-butyl 2-methyl (2S,4S)-4-{[(4-bromophenyl)sulfonyl]oxy}pyrrolidine-1,2-dicarboxylateSCHEMBL3044188QDSVLWCXASHQMV-JSGCOSHPSA-NH52117F5676271-t-butyl 2-methyl (2S,4S)-4-{[(4-bromophenyl)sulfonyl]oxy}pyrrolidine-1,2-dicarboxylate1-t-butyl 2-methyl(2S,4S)-4-{[(4-bromophenyl)sulfonyl]oxy}pyrrolidine-1,2-dicarboxylate1-tert-butyl 2-methyl (25,45)-4-{[(4-bromophenyl)sulfonyl]oxy}pyrrolidine-1,2-dicarboxylate
데이터베이스 식별자
- PubChem CID
- 56590484
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 647
관련 반응
20건
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