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Alloxan

CAT: 1596-AR-P33420-05Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-P33420-05Size:150
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CAS Number
50-71-5
Molecular Formula
C4H2N2O4
Molecular Weight
142.07
API Name
Pyrimidine

Chemical Information

Alloxan

Alloxan is a member of the class of pyrimidones, the structure of which is that of perhydropyrimidine substituted at C-2, -4, -5 and -6 by oxo groups. It has a role as a metabolite and a hyperglycemic agent. It is functionally related to a barbituric acid.

CAS Number50-71-5
PubChem CID5781
IUPAC Name1,3-diazinane-2,4,5,6-tetrone
Molecular FormulaC4H2N2O4
Molecular Weight142.07
XLogP-1
Topological Polar Surface Area92.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity222
SMILES
C1(=O)C(=O)NC(=O)NC1=O
InChI
InChI=1S/C4H2N2O4/c7-1-2(8)5-4(10)6-3(1)9/h(H2,5,6,8,9,10)
InChIKey
HIMXGTXNXJYFGB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alloxan
CAS: 50-71-5
CID: 5781
Formula: C4H2N2O4
MW: 142.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight142.07
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass142.00145655
Monoisotopic Mass142.00145655
Topological Polar Surface Area92.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity222
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

Related Products

CatalogName
AR-A05940-01Allixin

Alternative Products

CatalogName
591960Alloxan
T7814Alloxan monohydrate
BIA0118-01Alloxan, monohydrate
HY-W017227-01Alloxan (hydrate)
sc-239203Alloxan tetrahydrate
NA71089-01Alloxan hydrate
A13650-01Alloxan tetrahydrate 97%
101760 25Alloxan Monohydrate Extra Pure

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