2,4,5-triiodo-3-acetamido-5-N-methylcarboxamidophenyl-D-glucopyranoside

3-acetamido-2,4,6-triiodo-N-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide

Also Known As: 3,5-Dichlor-salicylaldehyd-benzylimin|2,4,5-Triiodo-3-acetamido-5-N-methylcarboxamidophenyl- D-glucopyranoside|2,4,5-Triiodo-3-acetamido-5-N-methylcarboxamidophenyl-D-glucopyranoside|2,4,6-Triiodo-3-acetamido-5-N-methylcarboxamidophenyl beta-D-glucopyranoside|3-(Acetylamino)-5-(beta-D-glucopyranosyloxy)-2,4,6-triiodo-N-methylbenzamide|5-Acetamido-3-(beta-D-glucopyranos-1-yloxy)-N-methyl-2,4,6-triiodobenzenecarboxamide|3-acetamido-2,4,6-triiodo-N-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide|5-(Acetylamino)-3-(beta-D-glucopyranosyloxy)-N-methyl-2,4,6-triiodobenzamide|Benzenecarboxamide, 5-acetamido-3-(beta-D-glucopyranos-1-yloxy)-N-methyl-2,4,6-triiodo-|3-Acetamido-5-(beta-D-glucopyranosyloxy)-2,4,6-triiodo-N-methylbenzamide|3-acetamido-2,4,6-triiodo-N-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzamide|3-Acetylamino-2,4,6-triiodo-N-methyl-5-((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-benzamide

Molecular Formula	C16H19I3N2O8
Molecular Weight	747.8276 g/mol
LogP	0.2
Topological Polar Surface Area	158.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	747.8276
Monoisotopic Mass	747.8276
Heavy Atoms	29
Complexity	603.0

Chemical Identifiers

CAS Number	58199-95-4
SMILES	CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NC)I)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)I
InChIKey	NGOYURKHFAWGEJ-TVKQLUOBSA-N