Home Other Building Blocks 5-Nitrouracil

5-Nitrouracil

CAS No.:
611-08-5
Catalog Number:
AG0034B3
Molecular Formula:
C4H3N3O4
Molecular Weight:
157.0843
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
99%(HPLC)
In Stock USA
United States
$41
- +
25g
99%(HPLC)
In Stock USA
United States
$58
- +
100g
99%(HPLC)
In Stock USA
United States
$107
- +
500g
99%(HPLC)
In Stock USA
United States
$354
- +
Product Description
Catalog Number:
AG0034B3
Chemical Name:
5-Nitrouracil
CAS Number:
611-08-5
Molecular Formula:
C4H3N3O4
Molecular Weight:
157.0843
MDL Number:
MFCD00006021
IUPAC Name:
5-nitro-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C4H3N3O4/c8-3-2(7(10)11)1-5-4(9)6-3/h1H,(H2,5,6,8,9)
InChI Key:
TUARVSWVPPVUGS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]c(=O)[nH]c1=O
EC Number:
210-250-4
NSC Number:
9790
Properties
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.012g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
157.085g/mol
Monoisotopic Mass:
157.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Literature
Title Journal
Solid-phase molecular recognition of cytosine based on proton-transfer reaction. Part II. supramolecular architecture in the cocrystals of cytosine and its 5-Fluoroderivative with 5-Nitrouracil. Chemistry Central journal 20110101
Selective recognition of uracil and its derivatives using a DNA repair enzyme structural mimic. The Journal of organic chemistry 20100115
Co-crystals: a novel approach to modify physicochemical properties of active pharmaceutical ingredients. Indian journal of pharmaceutical sciences 20090101
N,N',N''-Triphenyl-guanidinium 5-nitro-2,4-dioxo-1,2,3,4-tetra-hydro-pyrimidin-1-ide. Acta crystallographica. Section E, Structure reports online 20080601
A new polymorph of 5-nitro-uracil monohydrate. Acta crystallographica. Section E, Structure reports online 20080601
N-1 regioselective Michael-type addition of 5-substituted uracils to (2-hydroxyethyl) acrylate. Beilstein journal of organic chemistry 20070101
Study of photoinduced N-hydroxy-arylnitroxide radicals (ArNO*OH) by time-resolved EPR. The journal of physical chemistry. A 20050113
Hydrogen bonding patterns in the cocrystals of 5-nitrouracil with several donor and acceptor molecules. Beilstein journal of organic chemistry 20050101
Thymidine phosphorylase inhibitors with a homophthalimide skeleton. Biological & pharmaceutical bulletin 20010701
Virtual combinatorial syntheses and computational screening of new potential anti-herpes compounds. Journal of medicinal chemistry 19990826
Structure-activity relationship of ligands of uracil phosphoribosyltransferase from Toxoplasma gondii. Biochemical pharmacology 19940817
Interaction of monoclonal antibodies directed against bromodeoxyuridine with pyrimidine bases, nucleosides, and DNA. Journal of immunology (Baltimore, Md. : 1950) 19860301
Properties