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Home > Nitro Compounds > 81797-05-9
81797-05-9 | 1-((2-HYDROXYETHOXY)METHYL)-5-NITROURACIL
CAS No: 81797-05-9 Catalog No: AG0050M8 MDL No:
Product Description
Catalog Number:
AG0050M8
Chemical Name:
1-((2-HYDROXYETHOXY)METHYL)-5-NITROURACIL
CAS Number:
81797-05-9
Molecular Formula:
C7H9N3O6
Molecular Weight:
231.1629
IUPAC Name:
1-(2-hydroxyethoxymethyl)-5-nitropyrimidine-2,4-dione
InChI:
InChI=1S/C7H9N3O6/c11-1-2-16-4-9-3-5(10(14)15)6(12)8-7(9)13/h3,11H,1-2,4H2,(H,8,12,13)
InChI Key:
MNIUNDPUCLSZQM-UHFFFAOYSA-N
SMILES:
OCCOCn1cc([N+](=O)[O-])c(=O)[nH]c1=O
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.164g/mol
Monoisotopic Mass:
231.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
Literature
| Title | Journal |
|---|---|
| Studies on acyclic pyrimidines as inhibitors of mycobacteria. | Bioorganic & medicinal chemistry 20070301 |
| Inhibition of hepatitis B virus (HBV) replication by pyrimidines bearing an acyclic moiety: effect on wild-type and mutant HBV. | Journal of medicinal chemistry 20060323 |
| Nucleic acid related compounds. 47. Synthesis and biological activities of pyrimidine and purine 'acyclic' nucleoside analogues. | Journal of medicinal chemistry 19841101 |
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