CAS 17249-00-2 laccaic acid B (HCID 5491366)

기본 정보

CAS: 17249-00-2
표준 SMILES: O=C(O)c1c(O)cc2c(c1C(=O)O)C(=O)c1c(O)c(-c3cc(CCO)ccc3O)c(O)c(O)c1C2=O
InChIKey: BVLPXKYBBOURAF-UHFFFAOYSA-N
분자식: C24H16O12
평균 분자량: 496.4 g/mol
단동위원소 질량: 496.06417594

개요

Laccaic acid B is a tetrahydroxyanthraquinone that is that is 3,5,6,8-tetrahydroxy-9,10-anthraquinone substituted by two carboxy groups at positions 1 and 2 as well as a 5-(2-hydroxyethyl)-2-hydroxyphenyl group at position 7. A minor component of LAC dye together with laccaic acids A, C and D. It has a role as a dye and an animal metabolite. It is a primary alcohol, a polyphenol, an oxo dicarboxylic acid and a tetrahydroxyanthraquinone.

이름 및 식별자

우선 이름: laccaic acid B
IUPAC: 3,5,6,8-tetrahydroxy-7-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-9,10-dioxoanthracene-1,2-dicarboxylic acid
현지명: 락카산B
영어명: LACCAIC ACID B
분자식: C24H16O12
분자량: 496.38

이름 및 동의어

LACCAIC ACID B17249-00-23,5,6,8-tetrahydroxy-7-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-9,10-dioxoanthracene-1,2-dicarboxylic acid3,5,6,8-tetrahydroxy-7-(2-hydroxy-5-(2-hydroxyethyl)phenyl)-9,10-dioxo-9,10-dihydroanthracene-1,2-dicarboxylic acidCHEBI:90188DTXSID101693193,5,6,8-TETRAHYDROXY-7-[2-HYDROXY-5-(2-HYDROXYETHYL)PHENYL]-9,10-DIOXO-9,10-DIHYDROANTHRACENE-1,2-DICARBOXYLIC ACID1,2-Anthracenedicarboxylic acid, 9,10-dihydro-3,5,6,8-tetrahydroxy-7-(2-hydroxy-5-(2-hydroxyethyl)phenyl)-9,10-dioxo-3,5,6,8-tetrahydroxy-7-(2-hydroxy-5-(2-hydroxyethyl)phenyl)-9,10-dioxoanthracene-1,2-dicarboxylic acidRefChem:152015DTXCID9091810orb1696649

이름 더 보기

락카산BLACCAIC ACID B STANDARD9,10-Dihydro-3,5,6,8-tetrahydroxy-7-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-9,10-dioxo-1,2-anthracenedicarboxylic acid7-[2-Hydroxy-5-(2-hydroxyethyl)phenyl]-3,5,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydro-1,2-anthracenedicarboxylic acid1,2-Anthracenedicarboxylic acid, 9,10-dihydro-3,5,6,8-tetrahydroxy-7-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-9,10-dioxo-

물성

구조 계산 물성

XLogP: 3
극성 표면적: 230 Å²
수소 결합 공여자 수: 8
수소 결합 수용자 수: 12
회전 가능 결합 수: 5
무거운 원자 수: 36
형식 전하: 0
복잡도: 906

물리화학적 성질

끓는 점: 918 · 918.0±65.0 °C(Predicted)
밀도: 1.825 · 1.825±0.06 g/cm3(Predicted)
산도 계수 (pKa): 1.1 · 1.10±0.20(Predicted)

화학 및 산업

공급사2 곳

杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]

上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]

추가 설명 · 1건

정의ChEBI: A tetrahydroxyanthraquinone that is that is 3,5,6,8-tetrahydroxy-9,10-anthraquinone substituted by two carboxy groups at positions 1 and 2 as well as a 5-(2-hydroxyethyl)-2-hydroxyphenyl group at position 7. A minor component of LAC dye together with lacca c acids A, C and D

화합물 노트

불러오는 중…

락카산B