chempirical

6-Azauridine

C8H11N3O6CAS 54-25-1245.19 g/mol

Open in Covalent MOL file
ONOHNNOHOHOOH
AlcoholEtherPhenol

Properties

Molecular formula
C8H11N3O6
Molar mass
245.19 g/mol
Exact mass
245.0648 Da
Melting point
158 °C
logP
-3.04Crippen estimate
Polar surface area
137.9 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
2
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
54-25-1
SMILES
O=c1nc(O)cnn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey
WYXSYVWAUAUWLD-SHUUEZRQSA-N
InChI
InChI=1S/C8H11N3O6/c12-2-3-5(14)6(15)7(17-3)11-8(16)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,16)/t3-,5-,6-,7-/m1/s1

Weigh it out

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

Names and synonyms

12 names
  • 1,2,4-Triazine-3,5(2H,4H)-dione, 2-β-D-ribofuranosyl-
  • As-Triazine-3,5(2H,4H)-dione, 2-β-D-ribofuranosyl-
  • 2-β-D-Ribofuranosyl-1,2,4-triazine-3,5(2H,4H)-dione
  • 6-AzUr
  • NSC 32074
  • 6-Azauracil-β-D-riboside
  • 2-β-D-Ribofuranosyl-as-triazine-3,5(2H,4H)-dione
  • 6-Azauracil 1-riboside
  • Riboazauracil
  • 6-Azuridine
  • Rib-azauracil
  • FSL 0296

Work with 6-Azauridine

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

Uracil arabinoside3083-77-063 % similar Uridine58-96-863 % similar 2′-O-Methyluridine2140-76-354 % similar 5-Hydroxyuridine957-77-753 % similar 1-(2-Deoxy-2-fluoro-β-D-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedione69123-94-053 % similar N4-Hydroxycytidine3258-02-452 % similar 5-Iodouridine1024-99-351 % similar 5-Methyluridine1463-10-151 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook