auramycin B
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auramycin B
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CAS No:
78173-91-8
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Formula:
C41H49NO15
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Chemical Name:
auramycin B
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Synonyms:
auramycin B;DTXSID00228823;ZINC95750052;1-Naphthacenecarboxylic acid, 4-(((2""",3""-anhydro)-O-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulosyl-(1->4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1->4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-2-methyl-6,11-d ioxo-, methyl ester, (1R-(1alpha,2beta,4beta))-;1-Naphthacenecarboxylic acid, 4-(((2""",3""-anhydro)-O-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulosyl-(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexapyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-2-methyl-6,11-dioxo-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-;methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[[(1R,3R,5S,8S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate;methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-5-[[(2S,4aS,5aS,7S,9S,9aR,10aR)-2,9-dimethyl-3-oxo-4,4a,5a,6,7,9,9a,10a-octahydrodipyrano[4,2-a:4",3"-e][1,4]dioxin-7-yl]oxy]-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-te
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CAS No:
Characteristics
206
3.3
1.2495 (rough estimate)
161°C
Peritoneal-mouse LD50: 100 mg/kg
Flammable; burning produces toxic nitrogen oxide fumes
Safety Information
Ventilated, low temperature and dry; stored separately from food materials in warehouse
Computed Properties
Molecular Weight:795.8
XLogP3:3.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:7
Exact Mass:795.31021986
Monoisotopic Mass:795.31021986
Topological Polar Surface Area:206
Heavy Atom Count:57
Complexity:1560
Defined Atom Stereocenter Count:14
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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