기본 정보
- CAS
263397-69-9- 표준 SMILES
O=C(O[C@H](Cc1ccc(O)c(O)c1)C(=O)O)C1=Cc2cc(O)c(O)cc2[C@H](c2ccc(O)c(O)c2)[C@H]1C(=O)O[C@@H](Cc1ccc(O)c(O)c1)C(=O)O- InChIKey
VKWZFIDWHLCPHJ-ZLESDFJESA-N- 분자식
- C36H30O16
- 평균 분자량
- 718.6 g/mol
개요
(+)-Rabdosiin has been reported in Lithospermum erythrorhizon with data available.
이름 및 식별자
- 우선 이름
- Rabdosiin
- IUPAC
- (2S)-2-[(1S,2R)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carbonyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
- 영어명
- (+)-Rabdosiin
- 분자식
- C36H30O16
- 분자량
- 718.61
이름 및 동의어
Rabdosiin263397-69-9(+)-Rabdosiin(2S)-2-[(1S,2R)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carbonyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid(S)-2-(((1S,2R)-3-(((R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy)carbonyl)-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carbonyl)oxy)-3-(3,4-dihydroxyphenyl)propanoic acidorb1309181SCHEMBL29871507HY-N6880MFCD33401293AKOS040736433EBC-617611DA-77319
이름 더 보기
Rabdosiin, 10 mM in DMSORabdosiin,DNA,Inhibitor,anti-HIV,inhibit,anti-allergic,topoisomerase2,3-Naphthalenedicarboxylic acid, 1-(3,4-dihydroxyphenyl)-1,2-dihydro-6,7-dihydroxy-, 3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl] ester, (1S,2R)-2,3-Naphthalenedicarboxylic acid, 1-(3,4-dihydroxyphenyl)-1,2-dihydro-6,7-dihydroxy-, 3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl] 2-[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl] ester, (1S,2R)-
MS-31225CS-0100474F82431T12651(2R)-2-[(3R,4S)-3-{[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3,4-dihydronaphthalene-2-carbonyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 289 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 52
- 형식 전하
- 0
- 복잡도
- 1,320
물리화학적 성질
- 끓는 점
- 1075.5 · 1075.5±65.0 °C(Predicted)
- 밀도
- 1.664 · 1.664±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.81 · 2.81±0.10(Predicted)
- 물리적 상태
- Solid
- 색상
- Off-white to yellow
화학 및 산업
공급사19 곳
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