(R)-(4'-{1-ethyl-1-[4-(3-hydroxy-4,4-dimethyl-pentyl)-3-methyl-phenyl]-propyl}-2'-methyl-biphenyl-3-yl)-hydroxy-acetic Acid
기본 정보
- 표준 SMILES
CCC(CC)(c1ccc(CCC(O)C(C)(C)C)c(C)c1)c1ccc(-c2cccc([C@@H](O)C(=O)O)c2)c(C)c1- InChIKey
AICLRUXBTIZBTI-NLIBRCFJSA-N- 분자식
- C34H44O4
- 평균 분자량
- 516.7 g/mol
이름 및 식별자
- 우선 이름
- (R)-(4'-{1-ethyl-1-[4-(3-hydroxy-4,4-dimethyl-pentyl)-3-methyl-phenyl]-propyl}-2'-methyl-biphenyl-3-yl)-hydroxy-acetic Acid
- IUPAC
- (2R)-2-hydroxy-2-[3-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]phenyl]acetic acid
이름 및 동의어
SCHEMBL1525598AICLRUXBTIZBTI-NLIBRCFJSA-N(R)-(4'-{1-ethyl-1-[4-(3-hydroxy-4,4-dimethyl-pentyl)-3-methyl-phenyl]-propyl}-2'-methyl-biphenyl-3-yl)-hydroxy-acetic Acid
데이터베이스 식별자
- PubChem CID
- 57709134
물성
구조 계산 물성
- XLogP
- 8.8
- 극성 표면적
- 77.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 737
관련 반응
2건
화합물 노트
불러오는 중…