chempirical

Alloxantin

C8H6N4O8CAS 76-24-4286.16 g/mol

Open in Covalent MOL file
OHNOOHOHONHONHOOHN
Alcohol

Properties

Molecular formula
C8H6N4O8
Molar mass
286.16 g/mol
Exact mass
286.0186 Da
Melting point
254 °C (decomposes)
logP
-1.46Crippen estimate
Polar surface area
205.0 Ų
H-bond donors / acceptors
6 / 4
Rotatable bonds
1

Identifiers

CAS number
76-24-4
SMILES
O=C1N=C(O)C(O)(C2(O)C(O)=NC(=O)N=C2O)C(O)=N1
InChIKey
IWDDXZKCDHOOSF-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N4O8/c13-1-7(19,2(14)10-5(17)9-1)8(20)3(15)11-6(18)12-4(8)16/h19-20H,(H2,9,10,13,14,17)(H2,11,12,15,16,18)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • [5,5′-Bipyrimidine]-2,2′,4,4′,6,6′(1H,1′H,3H,3′H,5H,5′H)-hexone, 5,5′-dihydroxy-
  • 5,5′-Bibarbituric acid, 5,5′-dihydroxy-
  • 5,5′-Dihydroxy[5,5′-bipyrimidine]-2,2′,4,4′,6,6′(1H,1′H,3H,3′H,5H,5′H)-hexone
  • Uroxin
  • Uroxine
  • NSC 118963
  • NSC 7634

Work with Alloxantin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5,5-Dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione511-67-156 % similar Barbituric acid67-52-738 % similar Phenobarbital50-06-638 % similar Amobarbital57-43-238 % similar (±)-Pentobarbital76-74-437 % similar 2,4,5,6(1H,3H)-Pyrimidinetetrone, hydrate (1:1)2244-11-334 % similar Violuric acid87-39-834 % similar 1,5,5-Trimethyl-2,4-imidazolidinedione6851-81-634 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook