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Bredinin aglycone

CAT: 0013-GTR19155420-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19155420-01Size:1 g
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Description
Bredinin aglycone is a purine nucleotide analog. It can be used to examine the efficiency of catalysts for the preparation of purine nucleotide analogs.
CAS Number
56973-26-3
Product Name Alternative
5-Hydroxy-1H-imidazole-4-carboxamide
Purity
>98% (HPLC)
Solubility
H2O: 1 mg/mL (7.87 mM; Need ultrasonic)
Smiles
NC (c (nc[nH]1) c1O) =O
Molecular Formula
C4H5N3O2
Molecular Weight
127.1
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

5-hydroxy-1H-imidazole-4-carboxamide

5-hydroxyimidazole-4-carboxamide is a hydroxyimidazole that is 5-hydroxyimidazole in which the hydrogen at position 4 is replaced by an aminocarbonyl group. It has a role as an antineoplastic agent. It is a monocarboxylic acid amide and a hydroxyimidazole.

CAS Number56973-26-3
PubChem CID124343
IUPAC Name4-hydroxy-1H-imidazole-5-carboxamide
Molecular FormulaC4H5N3O2
Molecular Weight127.10
XLogP-0.2
Topological Polar Surface Area92
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity127
SMILES
C1=NC(=C(N1)C(=O)N)O
InChI
InChI=1S/C4H5N3O2/c5-3(8)2-4(9)7-1-6-2/h1,9H,(H2,5,8)(H,6,7)
InChIKey
UEWSIIBPZOBMBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-hydroxy-1H-imidazole-4-carboxamide
CAS: 56973-26-3
CID: 124343
Formula: C4H5N3O2
MW: 127.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight127.10
XLogP3-0.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass127.038176411
Monoisotopic Mass127.038176411
Topological Polar Surface Area92 Ų
Heavy Atom Count9
Formal Charge0
Complexity127
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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