Ferrate(3-), [[N,N′,N′′-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-di(hydroxy-κO)benzamidato]](6-)]-, hydrogen (1:3), (OC-6-22)-
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Ferrate(3-), [[N,N′,N′′-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-di(hydroxy-κO)benzamidato]](6-)]-, hydrogen (1:3), (OC-6-22)-
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CAS No:
62280-34-6
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Formula:
C30H21FeN3O15.3H
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Chemical Name:
Ferrate(3-), [[N,N′,N′′-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-di(hydroxy-κO)benzamidato]](6-)]-, hydrogen (1:3), (OC-6-22)-
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Synonyms:
Ferrate(3-),[[N,N′,N′′-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-di(hydroxy-κO)benzamidato]](6-)]-,hydrogen (1:3),(OC-6-22)-;Ferrate(3-),[[N,N′,N′′-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-di(hydroxy-κO)benzamidato]](6-)]-,trihydrogen,(OC-6-22)-;Benzamide,N,N′,N′′-(2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris[2,3-dihydroxy-,iron complex,[3S-(3R*,7R*,11R*)]-;1,5,9-Trioxacyclododecane,benzamide deriv.,iron complex;1,5,9-Trioxacyclododecane,ferrate(3-) deriv.;Ferric enterobactin;Ferrienterochelin;Ferrienterobactin
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CAS No:
Description
ChEBI: An iron chelate that is (3S,7S,11S)-3,7,11-triamino-1,5,9-trioxacyclododecane-2,6,10-trione in which each nitrogen has been acylated by a 2,3-dihydroxybenzoyl group, the six phenolic oxygen atoms being coo dinated to Fe(III).
Ferrate(3-), [[N,N′,N′′-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-di(hydroxy-κO)benzamidato]](6-)]-, hydrogen (1:3), (OC-6-22)- Basic Attributes
722.4
722.055678
Drug Information
Ferrate(3-), ((N,N',N''-(2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris(2,3-dihydroxybenzamidato))(6-)-O2,O2',O2'',O3,O3',O3'')-, trihydrogen, stereoisomer
Computed Properties
Molecular Weight:722.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:6
Exact Mass:722.055678
Monoisotopic Mass:722.055678
Topological Polar Surface Area:305
Heavy Atom Count:49
Complexity:1060
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:5
Compound Is Canonicalized:Yes
Ferrate(3-), [[N,N′,N′′-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-di(hydroxy-κO)benzamidato]](6-)]-, hydrogen (1:3), (OC-6-22)-
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