2-[3,5-bis(ethylcarbamoyl)-2,4,6-triiodo-phenoxy]propanoic acid, (2R,3 R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol
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2-[3,5-bis(ethylcarbamoyl)-2,4,6-triiodo-phenoxy]propanoic acid, (2R,3 R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol
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CAS No:
19080-53-6
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Formula:
C22H34I3N3O10
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Chemical Name:
2-[3,5-bis(ethylcarbamoyl)-2,4,6-triiodo-phenoxy]propanoic acid, (2R,3 R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol
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Synonyms:
CTK0H7454;DTXSID50940669;2-[3,5-bis(ethylcarbamoyl)-2,4,6-triiodophenoxy]propanoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;Propionic acid, 2-(3,5-bis(ethylcarbamoyl)-2,4,6-triiodophenoxy)-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1);LS-124516;A815694;2-[3,5-bis(ethylcarbamoyl)-2,4,6-triiodo-phenoxy]propanoic acid; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol;2-[3,5-bis(ethylcarbamoyl)-2,4,6-tris(iodanyl)phenoxy]propanoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-{3,5-Bis[(ethylimino)(hydroxy)methyl]-2,4,6-triiodophenoxy}propanoic acid--1-deoxy-1-(methylamino)hexitol (1/1)
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CAS No:
2-[3,5-bis(ethylcarbamoyl)-2,4,6-triiodo-phenoxy]propanoic acid, (2R,3 R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol Basic Attributes
881.238
880.938
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:610
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
2-[3,5-bis(ethylcarbamoyl)-2,4,6-triiodo-phenoxy]propanoic acid, (2R,3 R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol
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