rel-Methyl (1R,2S)-2-[(4-hydroxy-4-phenyl-1-piperidinyl)methyl]-1-phenylcyclopropanecarboxylate
기본 정보
- CAS
932736-88-4- 표준 SMILES
COC(=O)[C@@]1(c2ccccc2)C[C@H]1CN1CCC(O)(c2ccccc2)CC1- InChIKey
UNOGZCNQPVUIQG-NZQKXSOJSA-N- 분자식
- C23H27NO3
- 평균 분자량
- 365.5 g/mol
- 단동위원소 질량
- 365.19909372
이름 및 식별자
- 우선 이름
- rel-Methyl (1R,2S)-2-[(4-hydroxy-4-phenyl-1-piperidinyl)methyl]-1-phenylcyclopropanecarboxylate
- IUPAC
- cis-methyl (1S,2R)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-phenylcyclopropane-1-carboxylate
이름 및 동의어
932736-88-4rel-Methyl (1R,2S)-2-[(4-hydroxy-4-phenyl-1-piperidinyl)methyl]-1-phenylcyclopropanecarboxylaterel-Methyl (1R,2S)-2-((4-hydroxy-4-phenyl-1-piperidinyl)methyl)-1-phenylcyclopropanecarboxylateRefChem:379223CHEMBL1774578DTXSID101117601BDBM50343613(-)-Methyl(1S,2R)-2-[(4-Hydroxy-4-phenylpiperidin-1-yl)-methyl]-1-phenylcyclopropanecarboxylate(-)-methyl (1s,2r)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)-methyl]-1-phenylcyclopropanecarboxylateMethyl (1S,2R)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-phenylcyclopropane-1-carboxylate
데이터베이스 식별자
- CAS
932736-88-4- PubChem CID
- 53248111
- DTXSID
DTXSID101117601- ChEMBL
CHEMBL1774578
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 49.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 516
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