chempirical

N4-Acetylcytidine

C11H15N3O6CAS 3768-18-1285.26 g/mol

Open in Covalent MOL file
OHNNOOHOHHOON
AlcoholEther

Properties

Molecular formula
C11H15N3O6
Molar mass
285.26 g/mol
Exact mass
285.0961 Da
Melting point
208–209 °C
logP
-1.54Crippen estimate
Polar surface area
137.4 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
3
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
3768-18-1
SMILES
CC(O)=Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
InChIKey
NIDVTARKFBZMOT-PEBGCTIMSA-N
InChI
InChI=1S/C11H15N3O6/c1-5(16)12-7-2-3-14(11(19)13-7)10-9(18)8(17)6(4-15)20-10/h2-3,6,8-10,15,17-18H,4H2,1H3,(H,12,13,16,19)/t6-,8-,9-,10-/m1/s1

Weigh it out

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

Names and synonyms

4 names
  • Cytidine, N-acetyl-
  • Acetamide, N-(1,2-dihydro-2-oxo-1-β-D-ribofuranosyl-4-pyrimidinyl)-
  • N-Acetylcytidine
  • 4-Acetylcytidine

Work with N4-Acetylcytidine

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 4-Thiouridine13957-31-862 % similar N(4)-Methylcytidine10578-79-761 % similar N4-Hydroxycytidine3258-02-461 % similar Zebularine3690-10-654 % similar 5-Methyluridine1463-10-152 % similar 1-β-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione605-23-252 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook