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3-(butanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoate;methyl(2,3,4,5,6-pentahydroxyhexyl)azanium
3-(butanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoate;methyl(2,3,4,5,6-pentahydroxyhexyl)azanium
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3-(butanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoate;methyl(2,3,4,5,6-pentahydroxyhexyl)azanium
structure -
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CAS No:
67336-59-8
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Formula:
C20H30I3N3O9
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Chemical Name:
3-(butanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoate;methyl(2,3,4,5,6-pentahydroxyhexyl)azanium
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Synonyms:
Isophthalamic acid, 5-butyrylamino-N-methyl-2,4,6-triiodo-, N-methylglucamine salt;5-Butyrylamino-N-methyl-2,4,6-triiodoisophthalamic acid N-methylglucamine salt
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CAS No:
3-(butanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoate;methyl(2,3,4,5,6-pentahydroxyhexyl)azanium Basic Attributes
837.2 g/mol
836.9116 g/mol
Computed Properties
Molecular Weight:837.2
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:10
Exact Mass:836.9116
Monoisotopic Mass:836.9116
Topological Polar Surface Area:216
Heavy Atom Count:35
Complexity:578
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
Guide of 3-(butanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoate;methyl(2,3,4,5,6-pentahydroxyhexyl)azanium
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