(2R)-2-[(1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid
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(2R)-2-[(1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid
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CAS No:
129051-64-5
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Formula:
C29H25NO12
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Chemical Name:
(2R)-2-[(1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid
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Synonyms:
7-methoxybenanomicinone;pradimicin N;Pradimicin N;129051-64-5;7-Methoxybenanomicinone;DTXSID10926287;N-[Hydroxy(1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-yl)methylidene]alanine
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CAS No:
(2R)-2-[(1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid Basic Attributes
579.5 g/mol
579.13767523 g/mol
Computed Properties
Molecular Weight:579.5
XLogP3:2.7
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:5
Exact Mass:579.13767523
Monoisotopic Mass:579.13767523
Topological Polar Surface Area:220
Heavy Atom Count:42
Complexity:1100
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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