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13231-00-0 | 1H-Purine-6,8-dione, 7,9-dihydro-
CAS No: 13231-00-0 Catalog No: AG0010IO MDL No:MFCD00037924
Product Description
Catalog Number:
AG0010IO
Chemical Name:
1H-Purine-6,8-dione, 7,9-dihydro-
CAS Number:
13231-00-0
Molecular Formula:
C5H4N4O2
Molecular Weight:
152.1109
MDL Number:
MFCD00037924
IUPAC Name:
7,9-dihydro-1H-purine-6,8-dione
InChI:
InChI=1S/C5H4N4O2/c10-4-2-3(6-1-7-4)9-5(11)8-2/h1H,(H3,6,7,8,9,10,11)
InChI Key:
BYUOBSUZYQAFJM-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c([nH]1)nc[nH]c2=O
EC Number:
236-203-8
NSC Number:
23164
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.033g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
152.113g/mol
Monoisotopic Mass:
152.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
Literature
| Title | Journal |
|---|---|
| Substrate orientation and catalytic specificity in the action of xanthine oxidase: the sequential hydroxylation of hypoxanthine to uric acid. | The Journal of biological chemistry 20100903 |
| Characterization of active site variants of xanthine hydroxylase from Aspergillus nidulans. | Archives of biochemistry and biophysics 20080201 |
| Purification and characterization of the FeII- and alpha-ketoglutarate-dependent xanthine hydroxylase from Aspergillus nidulans. | Biochemistry 20070508 |
| Structure-activity relationships for the binding of ligands to xanthine or guanine phosphoribosyl-transferase from Toxoplasma gondii. | Biochemical pharmacology 19951109 |
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