(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]pentanoic 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]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/186a12f77e5d4724ba062e359419efe1.png "(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]pentanoic acid")
(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]pentanoic acid
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CAS No:
19080-48-9
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Formula:
C22H34I3N3O10
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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]pentanoic acid
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Synonyms:
19080-48-9;DTXSID50940664;2-{3,5-Bis[hydroxy(methylimino)methyl]-2,4,6-triiodophenoxy}pentanoic acid--1-deoxy-1-(methylamino)hexitol (1/1);Valeric acid, 2-(3,5-bis(methylcarbamoyl)-2,4,6-triiodophenoxy)-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (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]pentanoic acid Basic Attributes
881.2 g/mol
880.9378 g/mol
Computed Properties
Molecular Weight:881.2
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:13
Exact Mass:880.9378
Monoisotopic Mass:880.9378
Topological Polar Surface Area:218
Heavy Atom Count:38
Complexity:612
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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