3-acetamido-2,4,6-triiodo-N-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide
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![3-acetamido-2,4,6-triiodo-N-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4f6eecf55d2f4b91b271305a28972dad.png "3-acetamido-2,4,6-triiodo-N-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide")
3-acetamido-2,4,6-triiodo-N-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide
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CAS No:
58199-95-4
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Formula:
C16H19I3N2O8
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Chemical Name:
3-acetamido-2,4,6-triiodo-N-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide
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Synonyms:
2,4,5-triiodo-3-acetamido-5-N-methylcarboxamidophenyl- D-glucopyranoside;2,4,5-Triiodo-3-acetamido-5-N-methylcarboxamidophenyl- D-glucopyranoside;58199-95-4;BRN 1609797;2,4,6-Triiodo-3-acetamido-5-N-methylcarboxamidophenyl beta-D-glucopyranoside;5-Acetamido-3-(beta-D-glucopyranos-1-yloxy)-N-methyl-2,4,6-triiodobenzenecarboxamide;DTXSID20206941;3-(Acetylamino)-5-(beta-D-glucopyranosyloxy)-2,4,6-triiodo-N-methylbenzamide;Benzenecarboxamide, 5-acetamido-3-(beta-D-glucopyranos-1-yloxy)-N-methyl-2,4,6-triiodo-;5-(Acetylamino)-3-(beta-D-glucopyranosyloxy)-N-methyl-2,4,6-triiodobenzamide
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CAS No:
3-acetamido-2,4,6-triiodo-N-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide Basic Attributes
748.04 g/mol
747.8276 g/mol
DTXSID20206941
Computed Properties
Molecular Weight:748.04
XLogP3:0.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:747.8276
Monoisotopic Mass:747.8276
Topological Polar Surface Area:158
Heavy Atom Count:29
Complexity:603
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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