(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-phenyl-2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]acetic acid
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![(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-phenyl-2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/44335adc8b2e4a29864f4ff5581324ad.png "(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-phenyl-2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]acetic acid")
(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-phenyl-2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]acetic acid
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CAS No:
19080-52-5
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Formula:
C25H32I3N3O10
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Chemical Name:
(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-phenyl-2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]acetic acid
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Synonyms:
19080-52-5;DTXSID90940668;{3,5-Bis[hydroxy(methylimino)methyl]-2,4,6-triiodophenoxy}(phenyl)acetic acid--1-deoxy-1-(methylamino)hexitol (1/1);Acetic acid, (3,5-bis(methylcarbamoyl)-2,4,6-triiodophenoxy)phenyl-, 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-phenyl-2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]acetic acid Basic Attributes
915.2 g/mol
914.9222 g/mol
Computed Properties
Molecular Weight:915.2
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:12
Exact Mass:914.9222
Monoisotopic Mass:914.9222
Topological Polar Surface Area:218
Heavy Atom Count:41
Complexity:692
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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