chempirical

Azacytidine

C8H12N4O5CAS 320-67-2244.21 g/mol

Open in Covalent MOL file
HNNNOOHOHHOOHN
AlcoholEtherPhenol

Properties

Molecular formula
C8H12N4O5
Molar mass
244.21 g/mol
Exact mass
244.0808 Da
Melting point
228–230 °C (decomposes)
Water solubility
5–10 g/L (21.1 °C)
logP
-2.93Crippen estimate
Polar surface area
144.7 Ų
H-bond donors / acceptors
5 / 8
Rotatable bonds
2
Stereocentres
R, R, S, Rin SMILES atom order

Hazards

Danger
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 85 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P280, P301+P317, P318, P330, P405, P501

Identifiers

CAS number
320-67-2
SMILES
N=c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(O)n1
InChIKey
NMUSYJAQQFHJEW-KVTDHHQDSA-N
InChI
InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1

Weigh it out

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

Names and synonyms

20 names · show all
  • 1,3,5-Triazin-2(1H)-one, 4-amino-1-β-D-ribofuranosyl-
  • s-Triazin-2(1H)-one, 4-amino-1-β-D-ribofuranosyl-
  • 4-Amino-1-β-D-ribofuranosyl-1,3,5-triazin-2(1H)-one
  • Antibiotic U 18496
  • 5-Azacytidine
  • U 18496
  • NSC 102816
  • Azacitidine
  • NSC 103-627
  • 5-AZCR
  • Mylosar
  • 5-AC
  • WR 183027
  • 5-AzaC
  • 5-AZC
  • Ladakamycin
  • Ledakamycin
  • Vidaza
  • CC 486
  • 5-Azacitidine

Work with Azacytidine

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

Cytarabine147-94-465 % similar Cytidine65-46-365 % similar 5-Aza-2′-deoxycytidine2353-33-561 % similar 5-Methylcytidine2140-61-661 % similar 5-Fluorocytidine2341-22-261 % similar Cytarabine hydrochloride69-74-961 % similar Guanosine118-00-356 % similar 9-Beta-D-arabinofuranosylguanine38819-10-256 % similar

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

Same formula

Ribavirin36791-04-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook