6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]hexanoic acid
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![6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]hexanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4f143c907f7b499da3ac906611282bb7.png "6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]hexanoic acid")
6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]hexanoic acid
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CAS No:
19080-49-0
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Formula:
C23H36I3N3O10
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Chemical Name:
6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]hexanoic acid
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Synonyms:
19080-49-0;DTXSID10940665;Hexanoic 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}hexanoic acid--1-deoxy-1-(methylamino)hexitol (1/1);6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]hexanoic acid
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CAS No:
6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]hexanoic acid Basic Attributes
895.3 g/mol
894.9535 g/mol
Computed Properties
Molecular Weight:895.3
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:14
Exact Mass:894.9535
Monoisotopic Mass:894.9535
Topological Polar Surface Area:218
Heavy Atom Count:39
Complexity:626
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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