기본 정보
- CAS
84638-48-2- 표준 SMILES
Cc1c(O)cc2c(c1O)C(=O)[C@H](Cc1ccc(O)cc1)CO2- InChIKey
BFVOQLBTLZMHPR-LLVKDONJSA-N- 분자식
- C17H16O5
- 평균 분자량
- 300.3 g/mol
- 단동위원소 질량
- 300.09977361
이름 및 식별자
- 우선 이름
- (3R)-5,7-Dihydroxy-6-methyl-3-(4'-hydroxybenzyl)chroman-4-one
- IUPAC
- (3R)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6-methyl-2,3-dihydrochromen-4-one
- 영어명
- (3R)-5,7-Dihydroxy-6-methyl-3-(4'-hydroxybenzyl)chroman-4-one
- 분자식
- C17H16O5
- 분자량
- 300.31
이름 및 동의어
84638-48-2(3R)-5,7-Dihydroxy-6-methyl-3-(4'-hydroxybenzyl)chroman-4-oneLPRP-Et-97543(3R)-5,7-Dihydroxy-3-(4-hydroxybenzyl)-6-methyl-2,3-dihydro-4H-1-benzopyran-4-one(3R)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6-methyl-2,3-dihydrochromen-4-one(R)-5,7-Dihydroxy-3-(4-hydroxybenzyl)-6-methylchroman-4-oneorb1684849CHEMBL2385398SCHEMBL29173125HY-N8168TN1270AKOS040760222
이름 더 보기
Hydantoin Impurity 27Pinostrobin Impurity 24H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6-methyl-, (3R)-
FS-7278(3R)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6-methyl-3,4-dihydro-2H-1-benzopyran-4-oneDA-69085CS-01402415,7,4'-trihydroxy-6-methyl homoisoflavanoneE88951(3R)-5,7-dihydroxy-6-methyl-3-(4'-hydroxybenzyl)-chroman-4-one(3R)-5,7-dihydroxyl-6-methyl-3-(4'-hydroxylbenzyl)-chroman-4-one
데이터베이스 식별자
- CAS
84638-48-2- PubChem CID
- 71585044
- ChEMBL
CHEMBL2385398- Nikkaji
- J3.336.481D
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 87 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 404
물리화학적 성질
- 끓는 점
- 587.3 · 587.3±39.0 °C(Predicted)
- 밀도
- 1.405 · 1.405±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.89 · 7.89±0.40(Predicted)
화학 및 산업
공급사28 곳
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