chempirical

2,9-Diacetylguanine

C9H9N5O3CAS 3056-33-5235.20 g/mol

Open in Covalent MOL file
ONNHONNHON
Phenol

Properties

Molecular formula
C9H9N5O3
Molar mass
235.20 g/mol
Exact mass
235.0705 Da
Melting point
above 300 °C
logP
0.80Crippen estimate
Polar surface area
113.5 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
1

Identifiers

CAS number
3056-33-5
SMILES
CC(=O)n1cnc2c(O)nc(N=C(C)O)nc21
InChIKey
GILZZWCROUGLIS-UHFFFAOYSA-N
InChI
InChI=1S/C9H9N5O3/c1-4(15)11-9-12-7-6(8(17)13-9)10-3-14(7)5(2)16/h3H,1-2H3,(H2,11,12,13,15,17)

Weigh it out

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

Names and synonyms

5 names
  • Acetamide, N-(9-acetyl-6,9-dihydro-6-oxo-1H-purin-2-yl)-
  • Guanine, N,9-diacetyl-
  • N-(9-Acetyl-6,9-dihydro-6-oxo-1H-purin-2-yl)acetamide
  • N2,9-Diacetylguanine
  • N2,N9-Diacetylguanine

Work with 2,9-Diacetylguanine

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

N2-Acetyl-9-(2-acetoxyethoxymethyl)guanine75128-73-354 % similar N-[9-[[2-(Acetyloxy)-1-[(acetyloxy)methyl]ethoxy]methyl]-6,9-dihydro-6-oxo-1H-purin-2-yl]acetamide86357-14-452 % similar N2-Acetylguanine19962-37-948 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook