기본 정보
- CAS
82002-76-4- 표준 SMILES
COC(=O)C1c2cc3c(c(O)c2C(OC2CC(N(C)C)C(O)C(C)O2)CC1(C)O)C(=O)c1c(O)cccc1C3=O- InChIKey
QJXJRECTYIMQFD-UHFFFAOYSA-N- 분자식
- C29H33NO10
- 평균 분자량
- 555.6 g/mol
- 단동위원소 질량
- 555.21044625
이름 및 식별자
- 우선 이름
- Methyl 2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-((2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
- IUPAC
- methyl 4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
- 현지명
- 아우라마이신D
- 영어명
- auramycin D
- 분자식
- C29H33NO10
- 분자량
- 555.577
이름 및 동의어
DTXSID701002373Methyl 2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-((2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydrotetracene-1-carboxylateMethyl 2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylateRefChem:1089281DTXCID201429308methyl 4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-methyl-4-((2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-QJXJRECTYIMQFD-UHFFFAOYSA-N아우라마이신Dauramycin D[1R,(+)]-1,2,3,4,6,11-Hexahydro-2α,5,7-trihydroxy-2-methyl-6,11-dioxo-4α-[[3-(dimethylamino)-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl]oxy]-1β-naphthacenecarboxylic acid methyl ester1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-[[2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-, methyl ester, (1R,2R,4S)- (9CI)
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 163 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,010
물리화학적 성질
- 끓는 점
- 709.3 · 709.3±60.0 °C(Predicted)
- 밀도
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.41 · 6.41±0.70(Predicted)
관련 반응
5건
화합물 노트
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