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35453-19-1

35453-19-1 | 5-Amino-2,4,6-triiodoisophthalic acid

CAS No: 35453-19-1 Catalog No: AG003640 MDL No:MFCD00190167

Product Description

Catalog Number:
AG003640
Chemical Name:
5-Amino-2,4,6-triiodoisophthalic acid
CAS Number:
35453-19-1
Molecular Formula:
C8H4I3NO4
Molecular Weight:
558.8351
MDL Number:
MFCD00190167
IUPAC Name:
5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C8H4I3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)
InChI Key:
JEZJSNULLBSYHV-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(I)c(C(=O)O)c(c(c1I)N)I
EC Number:
252-575-4
UNII:
A17G990RT0

Properties

Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
558.727g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
558.836g/mol
Monoisotopic Mass:
558.727g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Literature

Title Journal
5-Amino-2,4,6-triiodo-isophthalic acid-4,4'-bipyridine N,N'-dioxide-water (1/1/1). Acta crystallographica. Section E, Structure reports online 20110401
A novel N-acetylglutamate synthase architecture revealed by the crystal structure of the bifunctional enzyme from Maricaulis maris. PloS one 20110101
4-(4-Pyrid-yl)pyridinium 3-amino-5-carb-oxy-2,4,6-triiodo-benzoate-5-amino-2,4,6-triiodo-isophthalic acid (1/1). Acta crystallographica. Section E, Structure reports online 20101201
catena-Poly[[dipyridine-cadmium(II)]-μ-5-amino-2,4,6-triiodo-isophthalato]. Acta crystallographica. Section E, Structure reports online 20101101
How to get the magic triangle and the MAD triangle into your protein crystal. Acta crystallographica. Section F, Structural biology and crystallization communications 20091001
Polymorphism in high-crystalline-stability metal-organic nanotubes. Inorganic chemistry 20090601
Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37. Acta crystallographica. Section D, Biological crystallography 20081101
A magic triangle for experimental phasing of macromolecules. Acta crystallographica. Section D, Biological crystallography 20081101
catena-Poly[[[aqua-tripyridine-cobalt(II)]-μ-5-amino-2,4,6-triiodoisophthalato-κO:O] pyridine solvate]. Acta crystallographica. Section E, Structure reports online 20081101
A metal-organic nanotube exhibiting reversible adsorption of (H2O)12 cluster. Journal of the American Chemical Society 20081029
catena-Poly[[dipyridine-mercury(II)]-μ-5-amino-2,4,6-triiodo-isophthalato]. Acta crystallographica. Section E, Structure reports online 20081001
5-Amino-2,4,6-triiodo-isophthalic acid monohydrate. Acta crystallographica. Section E, Structure reports online 20080701
The mineralization of 5-amino-2,4,6-triiodoisophthalic acid by a two-stage fixed-bed reactor. Water research 20080501
Enrichment and properties of an anaerobic mixed culture that reductively deiodinates 5-amino-2,4,6-triiodoisophthalic acid, an X-ray contrast agent precursor. Applied microbiology and biotechnology 20031001
Phylogenetic analysis of an anaerobic microbial consortium deiodinating 5-amino-2,4,6-triiodoisophthalic acid. Applied microbiology and biotechnology 20030901

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