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3-(hexanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoate;methyl(2,3,4,5,6-pentahydroxyhexyl)azanium
3-(hexanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoate;methyl(2,3,4,5,6-pentahydroxyhexyl)azanium
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3-(hexanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoate;methyl(2,3,4,5,6-pentahydroxyhexyl)azanium
structure -
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CAS No:
67314-28-7
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Formula:
C22H34I3N3O9
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Chemical Name:
3-(hexanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoate;methyl(2,3,4,5,6-pentahydroxyhexyl)azanium
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Synonyms:
Isophthalamic acid, 5-hexanoylamino-N-methyl-2,4,6-triiodo-, N-methylglucamine salt;5-Hexanoylamino-N-methyl-2,4,6-triiodoisophthalamic acid N-methylglucamine salt
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CAS No:
3-(hexanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoate;methyl(2,3,4,5,6-pentahydroxyhexyl)azanium Basic Attributes
865.2 g/mol
864.9429 g/mol
Computed Properties
Molecular Weight:865.2
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:12
Exact Mass:864.9429
Monoisotopic Mass:864.9429
Topological Polar Surface Area:216
Heavy Atom Count:37
Complexity:606
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
Guide of 3-(hexanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoate;methyl(2,3,4,5,6-pentahydroxyhexyl)azanium
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