기본 정보
- CAS
862119-82-2- 표준 SMILES
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C(=O)OCC- InChIKey
CFFYVGARHCEYLI-ZIVKBKJYSA-N- 분자식
- C18H28N2O6
- 평균 분자량
- 368.4 g/mol
- 단동위원소 질량
- 368.19473662
이름 및 식별자
- 우선 이름
- (2S,4R)-tert-butyl 2-((1R,2S)-1-(ethoxycarbonyl)-2-vinylcyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (2S,4R)-2-[[(1R,2S)-2-ethenyl-1-ethoxycarbonylcyclopropyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
- 영어명
- (2S,4R)-tert-butyl 2-((1R,2S)-1-(ethoxycarbonyl)-2-vinylcyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate
- 분자식
- C18H28N2O6
- 분자량
- 368.42
이름 및 동의어
862119-82-2(2S,4R)-tert-butyl 2-((1R,2S)-1-(ethoxycarbonyl)-2-vinylcyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylatetert-butyl (2S,4R)-2-[[(1R,2S)-2-ethenyl-1-ethoxycarbonylcyclopropyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate(2S,4R)-tert-Butyl 2-(((1R,2S)-1-(ethoxycarbonyl)-2-vinylcyclopropyl)carbamoyl)-4-hydroxypyrrolidine-1-carboxylateCyclopropanecarboxylic acid, 1-[[[(2S,4R)-1-[(1,1-dimethylethoxy)carbonyl]-4-hydroxy-2-pyrrolidinyl]carbonyl]amino]-2-ethenyl-, ethyl ester, (1R,2S)-SCHEMBL1450854CFFYVGARHCEYLI-ZIVKBKJYSA-NDTXSID501102107DB-200162(2S,4R)-2-((1R,2S)-1-ethoxycarbonyl-2-vinyl-cyclopropylcarbamoyl)-4-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl esterEthyl (1R,2S)-1-[[[(2S,4R)-1-[(1,1-dimethylethoxy)carbonyl]-4-hydroxy-2-pyrrolidinyl]carbonyl]amino]-2-ethenylcyclopropanecarboxylateethyl 1(r)-[1 -tert-butoxycarbonyl-4(r)-hydroxypyrrolidine-2(s)-carboxamido]-2(s)-vinylcyclopropanecarboxylate
이름 더 보기
ethyl 1(R)-[1-tert-butoxycarbonyl-4(R)-hydroxypyrrolidine-2(S)-carboxamido]-2(S)-vinylcyclopropanecarboxylate
데이터베이스 식별자
- CAS
862119-82-2- PubChem CID
- 57892908
- DTXSID
DTXSID501102107- EC Number
- 617-815-8
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 599
물리화학적 성질
- 끓는 점
- 527.9 · 527.9±50.0 °C(Predicted)
- 밀도
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.84 · 12.84±0.40(Predicted)
화학 및 산업
공급사2 곳
德州博腾精细化工有限公司[email protected]
德州朗维医药科技有限公司13761310616 · [email protected]
관련 반응
20건
화합물 노트
불러오는 중…