(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]octanoic acid
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![(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]octanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/84a3944b16404d379d1b06bb1cb8a487.png "(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]octanoic acid")
(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]octanoic acid
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CAS No:
19080-51-4
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Formula:
C25H40I3N3O10
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Chemical Name:
(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]octanoic acid
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Synonyms:
19080-51-4;DTXSID30940667;Octanoic acid, 2-(3,5-bis(methylcarbamoyl)-2,4,6-triiodophenoxy)-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1);2-{3,5-Bis[hydroxy(methylimino)methyl]-2,4,6-triiodophenoxy}octanoic acid--1-deoxy-1-(methylamino)hexitol (1/1)
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CAS No:
(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]octanoic acid Basic Attributes
923.3 g/mol
922.9848 g/mol
Computed Properties
Molecular Weight:923.3
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:16
Exact Mass:922.9848
Monoisotopic Mass:922.9848
Topological Polar Surface Area:218
Heavy Atom Count:41
Complexity:655
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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