기본 정보
- CAS
724787-53-5- 표준 SMILES
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1O- InChIKey
PYXBJXCKGMSJMY-HUUCEWRRSA-N- 분자식
- C18H26N2O5
- 평균 분자량
- 350.4 g/mol
- 단동위원소 질량
- 350.18417193
이름 및 식별자
- 우선 이름
- (3R,4R)-Benzyl 4-((tert-butoxycarbonyl)amino)-3-hydroxypiperidine-1-carboxylate
- IUPAC
- benzyl (3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
- 영어명
- (3R,4R)-Benzyl 4-(tert-butoxycarbonylamino)-3-hydroxypiperidine-1-carboxylate
- 분자식
- C18H26N2O5
- 분자량
- 350.41
이름 및 동의어
724787-53-5724787-52-4(3R,4R)-Benzyl 4-((tert-butoxycarbonyl)amino)-3-hydroxypiperidine-1-carboxylatebenzyl trans-4-((tert-butoxycarbonyl)amino)-3-hydroxypiperidine-1-carboxylateBenzyl (3R,4R)-4-(tert-butoxycarbonylamino)-3-hydroxy-piperidine-1-carboxylateMFCD13152270(3R,4R)-rel-Benzyl 4-((tert-butoxycarbonyl)amino)-3-hydroxypiperidine-1-carboxylatebenzyl (3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylatetrans-4-[(tert-Butoxycarbonyl)amino]-3-hydroxypiperidine-1-carboxylate(3R,4R)-BENZYL 4-(TERT-BUTOXYCARBONYLAMINO)-3-HYDROXYPIPERIDINE-1-CARBOXYLATEbenzyl (3R,4R)-4-((tert-butoxycarbonyl)amino)-3-hydroxypiperidine-1-carboxylateBenzyl (3R,4R)-4-[(tert-butoxycarbonyl)amino]-3-hydroxypiperidine-1-carboxylate
이름 더 보기
(3R,4R)-4-Bocamino-1-Cbz-3-hydroxy-piperidinebenzyl (3R,4R)-4-(tert-butoxycarbonylamino)-3-hydroxy-piperidine-1-carboxylate - [B87318]1-Piperidinecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, phenylmethyl ester, (3R,4R)-
SCHEMBL2448494DTXSID70729857PYXBJXCKGMSJMY-HUUCEWRRSA-NAKOS016009374SY336765CS-0054027(3R,4R)-1-Cbz-4-(Boc-amino)-3-hydroxypiperidine(3R,4R)-4-(Boc-amino)-1-Cbz-3-hydroxy-piperidine
데이터베이스 식별자
- CAS
724787-53-5- PubChem CID
- 58745562
- DTXSID
DTXSID70729857
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 88.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 457
물리화학적 성질
- 끓는 점
- 512.9 · 512.9±50.0 °C(Predicted)
- 밀도
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 11.79 · 11.79±0.40(Predicted)
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