VA 5-140

5-[(2-hydroxycyclopropyl)-[N-(2-hydroxycyclopropyl)-2,4,6-triiodo-3-(1,3,4-trihydroxybutan-2-ylcarbamoyl)-5-[[(2R)-1,3,4-trihydroxybutan-2-yl]carbamoyl]anilino]oxyamino]-2,4,6-triiodo-3-N-(1,3,4-trihydroxybutan-2-yl)-1-N-[(2R)-1,3,4-trihydroxybutan-2-yl]benzene-1,3-dicarboxamide

Also Known As: VA 5-140|1,3-Benzenedicarboxamide, 5,5'-(oxybis((1-oxo-2,1-ethanediyl)(methylimino)))bis(N,N'-bis(2,3-dihydroxy-1-(hydroxymethyl)propyl)-2,4,6-triiodo-, stereoisomer|5-[(2-hydroxycyclopropyl)-[N-(2-hydroxycyclopropyl)-2,4,6-triiodo-3-(1,3,4-trihydroxybutan-2-ylcarbamoyl)-5-[[(2R)-1,3,4-trihydroxybutan-2-yl]carbamoyl]anilino]oxyamino]-2,4,6-triiodo-3-N-(1,3,4-trihydroxybutan-2-yl)-1-N-[(2R)-1,3,4-trihydroxybutan-2-yl]benzene-1,3-dicarboxamide

Molecular Formula	C38H50I6N6O19
Molecular Weight	1655.7399 g/mol
LogP	-4.4842
Topological Polar Surface Area	415.33 Ų
Hydrogen Bond Donors	18
Hydrogen Bond Acceptors	21
Rotatable Bonds	26
Exact Mass	1655.7399
Monoisotopic Mass	1655.7399
Heavy Atoms	69
Complexity	1924.7106

Chemical Identifiers

CAS Number	80909-30-4
SMILES	C1C(C1O)N(C2=C(C(=C(C(=C2I)C(=O)NC(CO)C(CO)O)I)C(=O)N[C@H](CO)C(CO)O)I)ON(C3CC3O)C4=C(C(=C(C(=C4I)C(=O)NC(CO)C(CO)O)I)C(=O)N[C@H](CO)C(CO)O)I