chempirical

Aicar

C9H14N4O5CAS 2627-69-2258.23 g/mol

Open in Covalent MOL file
H2NONNOOHOHHOH2N
AlcoholEtherPrimary amine

Properties

Molecular formula
C9H14N4O5
Molar mass
258.23 g/mol
Exact mass
258.0964 Da
Melting point
213 °C (decomposes)
logP
-2.04Crippen estimate
Polar surface area
157.8 Ų
H-bond donors / acceptors
6 / 7
Rotatable bonds
3
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
2627-69-2
SMILES
N=C(O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N
InChIKey
RTRQQBHATOEIAF-UUOKFMHZSA-N
InChI
InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1

Weigh it out

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

Names and synonyms

18 names · show all
  • 1H-Imidazole-4-carboxamide, 5-amino-1-β-D-ribofuranosyl-
  • Imidazole-4-carboxamide, 5-amino-1-β-D-ribofuranosyl-
  • 5-Amino-1-β-D-ribofuranosyl-1H-imidazole-4-carboxamide
  • 5-Amino-1-ribosyl-4-imidazolecarboxamide
  • 5-Amino-4-imidazolecarboxamide ribofuranoside
  • 1-β-D-Ribofuranosyl-5-amino-4-imidazolecarboxamide
  • 5-Amino-4-imidazolecarboxamide riboside
  • 5-Amino-1-β-D-ribofuranosylimidazole-4-carboxamide
  • 1-Ribosyl-4-carboxamido-5-aminoimidazole
  • AICA-Riboside
  • AIC-Riboside
  • Acadesine
  • Arasine
  • GP 1-110
  • 5-Aminoimidazole-4-carboxamide 1-(β-D-ribofuranoside)
  • NSC 105823
  • Acadra
  • 5-Aminoimidazole-4-carboxamid-1-β-D-ribofuranoside

Work with Aicar

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

Aica ribonucleotide3031-94-568 % similar Mizoribine50924-49-754 % similar Vidarabine5536-17-452 % similar Adenosine58-61-752 % similar 1-Methyladenosine15763-06-152 % similar Azacytidine320-67-251 % similar 2-Chloroadenosine146-77-049 % similar Isoguanosine1818-71-949 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook