기본 정보
- CAS
257938-67-3- 표준 SMILES
CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(O)cc2)[C@H](O)C1- InChIKey
AJASTZDEVUUDKP-UONOGXRCSA-N- 분자식
- C16H23NO4
- 평균 분자량
- 293.36 g/mol
- 단동위원소 질량
- 293.16270821
이름 및 식별자
- 우선 이름
- Tert-butyl (3S,4S)-3-hydroxy-4-(4-hydroxyphenyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl (3S,4S)-3-hydroxy-4-(4-hydroxyphenyl)piperidine-1-carboxylate
- 영어명
- Boc-4-(4-Hydroxyphenyl)-(3s,4s)-3-Piperidinol
- 분자식
- C16H23NO4
- 분자량
- 293.36
이름 및 동의어
(3S,4S)-tert-Butyl 3-hydroxy-4-(4-hydroxyphenyl)piperidine-1-carboxylate257938-67-3Tert-butyl (3S,4S)-3-hydroxy-4-(4-hydroxyphenyl)piperidine-1-carboxylate1279038-04-8(3S,4S)-tert-Butyl 3-hydroxy-4-(4-hydroxyphenyl)-piperidine-1-carboxylateSCHEMBL16874803DTXSID80647573AJASTZDEVUUDKP-UONOGXRCSA-NMFCD09839435AKOS016843280(3S,4S)-1-Boc-3-hydroxy-4-(4-hydroxyphenyl)piperidine(+/-)-rel-(3S,4S)-tert-butyl 3-hydroxy-4-(4-hydroxyphenyl)piperidine-1-carboxylate
이름 더 보기
BOC-4-(4-HYROXYPHENYL)-(3S,4S)-3-PIPERIDINOLBoc-4-(4-Hydroxyphenyl)-(3s,4s)-3-Piperidinoltert-Butyl(3R,4R)-3-hydroxy-4-(4-hydroxyphenyl)piperidine-1-carboxylate(3R,4R)-tert-Butyl 3-hydroxy-4-(4-hydroxyphenyl)piperidine-1-carboxylate(3R,4R)-3-Hydroxy-4-(4-hydroxyphenyl)piperidine-1-carboxylicacidtert-butylester1-Piperidinecarboxylicacid,3-hydroxy-4-(4-hydroxyphenyl)-,1,1-dimethylethylester,(3R,4R)-
데이터베이스 식별자
- CAS
257938-67-3- PubChem CID
- 24820608
- DTXSID
DTXSID80647573
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 70 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 358
물리화학적 성질
- 끓는 점
- 451.6 · 451.6±45.0 °C(Predicted)
- 밀도
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.15 · 10.15±0.30(Predicted)
공급사
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공개 문의
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관련 반응
4건
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