Rhodirubin ACAS:64253-73-2
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Rhodirubin ACAS:64253-73-2
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CAS No:
64253-73-2
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Formula:
C42H55NO16
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Chemical Name:
Rhodirubin ACAS:64253-73-2
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Synonyms:
Rhodirubin A;64253-73-2;1-Hydroxy-MA-144-N1;MA144 N2;1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-((2,3,6-trideoxy-4-0-(2,6-dideoxy-4-O-((2S-(2-alpha,5-beta,6-beta))-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-;methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
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CAS No:
Computed Properties
Molecular Weight:829.9
XLogP3:4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:10
Exact Mass:829.35208467
Monoisotopic Mass:829.35208467
Topological Polar Surface Area:240
Heavy Atom Count:59
Complexity:1520
Defined Atom Stereocenter Count:14
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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