(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]heptanoic 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]heptanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1b17c4f485434166a2b072fda5c029d9.png "(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]heptanoic acid")
(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]heptanoic acid
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CAS No:
19080-50-3
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Formula:
C24H38I3N3O10
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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]heptanoic acid
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Synonyms:
19080-50-3;DTXSID70940666;2-{3,5-Bis[hydroxy(methylimino)methyl]-2,4,6-triiodophenoxy}heptanoic acid--1-deoxy-1-(methylamino)hexitol (1/1);Heptanoic 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]heptanoic acid Basic Attributes
909.3 g/mol
908.9691 g/mol
Computed Properties
Molecular Weight:909.3
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:15
Exact Mass:908.9691
Monoisotopic Mass:908.9691
Topological Polar Surface Area:218
Heavy Atom Count:40
Complexity:641
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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