기본 정보
- CAS
172900-71-9- 표준 SMILES
COCCCOc1cc(C[C@@H](C(=O)O)C(C)C)ccc1OC- InChIKey
SZXUFLXBJGFODO-CQSZACIVSA-N- 분자식
- C17H26O5
- 평균 분자량
- 310.4 g/mol
- 단동위원소 질량
- 310.17802393
이름 및 식별자
- 우선 이름
- (2R)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutanoic acid
- IUPAC
- (2R)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutanoic acid
- 현지명
- 벤젠프로판산,4-메톡시-3-(3-메톡시프로폭시)-a-(1-메틸에틸)-,(aR)-
- 영어명
- Benzenepropanoic acid, 4-methoxy-3-(3-methoxypropoxy)-a-(1-methylethyl)-, (aR)-
- 분자식
- C17H26O5
- 분자량
- 310.39
이름 및 동의어
172900-71-9Benzenepropanoic acid, 4-methoxy-3-(3-methoxypropoxy)-a-(1-methylethyl)-, (aR)-(R)-2-(4-methoxy-3-(3-methoxypropoxy)benzyl)-3-methylbutanoic acid(2R)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutanoic acidMFCD11053677(R)-2-[3-(3-Methoxypropoxy)-4-methoxybenzyl]-3-methyl-butyric acid(2R)-2-{[4-Methoxy-3-(3-methoxypropoxy)phenyl]methyl}-3-methylbutanoic acid(alphaR)-4-Methoxy-3-(3-methoxypropoxy)-alpha-(1-methylethyl)benzenepropanoic acid(R)-2-[3-(3-Methoxypropoxy)-4-methoxybenzyl]-3-methylbutyric acid(R)-2-[4-Methoxy-3-(3-methoxypropoxy)benzyl]-3-methylbutanoic AcidSZXUFLXBJGFODO-CQSZACIVSA-NSCHEMBL811494
이름 더 보기
벤젠프로판산,4-메톡시-3-(3-메톡시프로폭시)-a-(1-메틸에틸)-,(aR)-(αR)-4-Methoxy-3-(3-methoxypropoxy)-α-(1-methylethyl)benzenepropanoic acidBenzenepropanoic acid, 4-methoxy-3-(3-methoxypropoxy)-α-(1-methylethyl)-, (αR)-
DTXSID90433186AKOS015852614AKOS015913808(R)-2-[4-METHOXY-3-(3-METHOXY-PROPOXY)-BENZYL]-3-METHYL-BUTYRIC ACIDSY365082(R)-2-(4-methoxy-3-(3-methoxypropoxy)benzyl)-3-methylbutanoicacid(2r)-2-[3-(3-methoxypropoxy)-4-methoxybenzyl]-3-methylbutanoic acid(R)-2-[4-methoxy-3-(3-methoxypropoxy)benzyl]-3-methyl-butanoic acid
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 65 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 318
물리화학적 성질
- 녹는점
- 43.5 · 43.5-44 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
- 끓는 점
- 431 · 431.0±35.0 °C(Predicted)
- 밀도
- 1.079 · 1.079±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.67 · 4.67±0.10(Predicted)
화학 및 산업
공급사5 곳
苏州美石生物科技有限公司1173954148q · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
郑州凡尔赛特化工有限公司0371-67991738 13783628208 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
Alchem Pharmtech,Inc.8485655694 · [email protected]
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