chempirical

Mizoribine

C9H13N3O6CAS 50924-49-7259.22 g/mol

Open in Covalent MOL file
H2NONNOOHOHHOHO
AlcoholAmideEtherPhenol

Properties

Molecular formula
C9H13N3O6
Molar mass
259.22 g/mol
Exact mass
259.0804 Da
Melting point
above 200 °C (decomposes)
logP
-2.70Crippen estimate
Polar surface area
151.1 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
3
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
50924-49-7
SMILES
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O
InChIKey
HZQDCMWJEBCWBR-UUOKFMHZSA-N
InChI
InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • 1H-Imidazole-4-carboxamide, 5-hydroxy-1-β-D-ribofuranosyl-
  • 5-Hydroxy-1-β-D-ribofuranosyl-1H-imidazole-4-carboxamide
  • Bredinin
  • β-Bredinin
  • HE 69
  • NSC 289637

Work with Mizoribine

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

Ribavirin36791-04-559 % similar Aicar2627-69-254 % similar Azacytidine320-67-251 % similar 1-Methyladenosine15763-06-149 % similar Isoguanosine1818-71-949 % similar Vidarabine5536-17-449 % similar Adenosine58-61-749 % similar Inosine58-63-949 % similar

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

Same formula

N4-Hydroxycytidine3258-02-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook