(2R,3S)-2-(3-hydroxy-5-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-6-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
기본 정보
- 표준 SMILES
COc1cc(O)cc([C@H]2Oc3ccc(C=CC(=O)NCCc4ccc(O)cc4)cc3O[C@@H]2C(=O)NCCc2ccc(O)cc2)c1- InChIKey
ABUYVRIWKJMSGL-NOCHOARKSA-N- 분자식
- C35H34N2O8
- 평균 분자량
- 610.7 g/mol
- 단동위원소 질량
- 610.23151605
개요
(2R,3S)-2-(3-hydroxy-5-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-6-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has been reported in Lycium chinense with data available.
이름 및 식별자
- 우선 이름
- (2R,3S)-2-(3-hydroxy-5-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-6-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
- IUPAC
- (2R,3S)-2-(3-hydroxy-5-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-6-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 147 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 963
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