AC1Q5SUE

2-[3,5-bis(ethylcarbamoyl)-2,4,6-triiodophenoxy]pentanoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol

Also Known As: 2-[3,5-bis(ethylcarbamoyl)-2,4,6-triiodophenoxy]pentanoic acid- 1-deoxy-1-(methylamino)-d-glucitol(1:1)|2-{3,5-Bis[(ethylimino)(hydroxy)methyl]-2,4,6-triiodophenoxy}pentanoic acid--1-deoxy-1-(methylamino)hexitol (1/1)|Valeric acid, 2-(3,5-bis(ethylcarbamoyl)-2,4,6-triiodophenoxy)-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)|2-[3,5-bis(ethylcarbamoyl)-2,4,6-triiodophenoxy]pentanoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol|2-{3,5-Bis[(ethylimino)(hydroxy)methyl]-2,4,6-triiodophenoxy}pentanoic acid--1-deoxy-1-(methylamino)-D-glucitol (1/1)

Molecular Formula	C24H38I3N3O10
Molecular Weight	908.9691 g/mol
LogP	0.2736
Topological Polar Surface Area	218.0 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	11
Rotatable Bonds	15
Exact Mass	908.9691
Monoisotopic Mass	908.9691
Heavy Atoms	40
Complexity	639.0

Chemical Identifiers

CAS Number	2183-66-6
SMILES	CCCC(C(=O)O)OC1=C(C(=C(C(=C1I)C(=O)NCC)I)C(=O)NCC)I.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
InChIKey	DUNXOMHWVPHBJV-WZTVWXICSA-N