기본 정보
- CAS
934664-27-4- 표준 SMILES
CC(C)(C)OC(=O)N1CCCCC1C1(O)CN(C(=O)OCc2ccccc2)C1- InChIKey
QBIMDSMNAAFYPK-UHFFFAOYSA-N- 분자식
- C21H30N2O5
- 평균 분자량
- 390.5 g/mol
- 단동위원소 질량
- 390.21547206
이름 및 식별자
- 우선 이름
- tert-Butyl 2-(1-((benzyloxy)carbonyl)-3-hydroxyazetidin-3-yl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 2-(3-hydroxy-1-phenylmethoxycarbonylazetidin-3-yl)piperidine-1-carboxylate
- 영어명
- tert-butyl 2-(1-(benzyloxycarbonyl)-3-hydroxyazetidin-3-yl)piperidine-1-carboxylate
- 분자식
- C21H30N2O5
- 분자량
- 390.47
이름 및 동의어
934664-27-4tert-Butyl 2-(1-((benzyloxy)carbonyl)-3-hydroxyazetidin-3-yl)piperidine-1-carboxylatetert-Butyl 2-(1-((benzyloxy)carbonyl)-3-hydroxy-azetidin-3-yl)piperidine-1-carboxylatetert-butyl 2-(3-hydroxy-1-phenylmethoxycarbonylazetidin-3-yl)piperidine-1-carboxylatetert-butyl 2-(1-(benzyloxycarbonyl)-3-hydroxyazetidin-3-yl)piperidine-1-carboxylatetert-Butyl 2-{1-[(benzyloxy)carbonyl]-3-hydroxyazetidin-3-yl}piperidine-1-carboxylateSCHEMBL1488503DTXSID90732141QBIMDSMNAAFYPK-UHFFFAOYSA-NMFCD22575045SB517312-[3-hydroxy-1-[(phenylmethoxy)carbonyl]-3-azetidinyl]-1-Piperidinecarboxylic acid 1,1-dimethylethyl ester
이름 더 보기
1-Piperidinecarboxylic acid, 2-[3-hydroxy-1-[(phenylmethoxy)carbonyl]-3-azetidinyl]-, 1,1-dimethylethyl ester
SY475323DB-3554113-(1-Boc-piperidin-2-yl)-1-Cbz-azetidin-3-olt-butyl 2-(1-benzyloxycarbonyl-3-hydroxy-azetidin-3-yl)-piperidine-1-carboxylatetert-Butyl2-(1-((benzyloxy)carbonyl)-3-hydroxyazetidin-3-yl)piperidine-1-carboxylate1,1-dimethylethyl 2-(3 -hydroxy-1-{[(phenylmethyl)oxy]carbonyl}azetidin-3-yl)piperidine-1- carboxylate1,1-dimethylethyl 2-(3-hydroxy-1-{[(phenylmethyl)oxy]carbonyl}azetidin-3-yl)piperidine-1-carboxylate
데이터베이스 식별자
- CAS
934664-27-4- PubChem CID
- 59469243
- DTXSID
DTXSID90732141
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 79.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 562
물리화학적 성질
- 끓는 점
- 521.2 · 521.2±50.0 °C(Predicted)
- 밀도
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 13.62 · 13.62±0.20(Predicted)
화학 및 산업
공급사2 곳
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