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기본 정보
- CAS
63710-10-1- 표준 SMILES
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@H]1C(=O)OC- InChIKey
VJRAUFKOOPNFIQ-TVEKBUMESA-N- 분자식
- C42H55NO17
- 평균 분자량
- 845.9 g/mol
- 단동위원소 질량
- 845.34699929
이름 및 식별자
- 우선 이름
- Marcellomycin
- IUPAC
- methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
- 영어명
- Marcellomycin
- 분자식
- C42H55NO17
- 분자량
- 845.88
이름 및 동의어
MarcellomycinRhodirubin E63710-10-13296X8L13EANTIBIOTIC MA-144U2methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylateNSC-265211DTXSID101031625methyl (1R,2R,4S)-4-((2R,4S,5S,6S)-5-((2S,4S,5S,6S)-5-((2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylateRefChem:155775DTXCID0015166441-Naphthacenecarboxylic acid, 4-((O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2, 6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-2,3, 6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-e thyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-, methyl ester, (1R-(1alpha,2beta,4beta))-
이름 더 보기
1-Naphthacenecarboxylic acid, 4-[[O-2,6-dideoxy-α-L-lyxo-hexopyranosyl-(1→4)-O-2,6-dideoxy-α-L-lyxo-hexopyranosyl-(1→4)-2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-, methyl ester, (1R,2R,4S)-
물성
구조 계산 물성보충 중
- XLogP
- 3
- 극성 표면적
- 261 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 60
- 형식 전하
- 0
- 복잡도
- 1,550
물리화학적 성질
- 녹는점
- 146 °C · 146°C
- 끓는 점
- 771.16 °C · 771.16°C (rough estimate)
- 밀도
- 1.243 · 1.2430 (rough estimate)
- 굴절률
- 1.622 · 1.6220 (estimate)
- 산도 계수 (pKa)
- 6.2 · 6.20±0.70(Predicted)
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
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