chempirical

8-Bromoguanosine

C10H12BrN5O5CAS 4016-63-1362.14 g/mol

Open in Covalent MOL file
NHNHONBrNOOHOHOHNH
AlcoholAryl halideEtherPhenol

Properties

Molecular formula
C10H12BrN5O5
Molar mass
362.14 g/mol
Exact mass
361.0022 Da
Melting point
above 180 °C (decomposes)
logP
-1.68Crippen estimate
Polar surface area
160.5 Ų
H-bond donors / acceptors
6 / 8
Rotatable bonds
2
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
4016-63-1
SMILES
N=c1nc(O)c2nc(Br)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1
InChIKey
ASUCSHXLTWZYBA-UMMCILCDSA-N
InChI
InChI=1S/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4-,5-,8-/m1/s1

Weigh it out

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

Names and synonyms

7 names
  • Guanosine, 8-bromo-
  • NSC 174257
  • NSC 79211
  • Chembridge 5141604
  • 2-Amino-8-bromo-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
  • 2-Amino-8-bromo-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6,9-dihydro-1H-purin-6-one
  • 2-Amino-8-bromo-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-1,9-dihydro-6H-purin-6-one

Work with 8-Bromoguanosine

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

Guanosine118-00-364 % similar 9-β-D-Arabinofuranosylguanine38819-10-264 % similar Guanosine85-30-364 % similar 7-Methylguanosine20244-86-456 % similar 2-Amino-9-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one103884-98-655 % similar 3′-O-Methylguanosine10300-27-353 % similar 2′-O-Methylguanosine2140-71-853 % similar 3′-Deoxy-3′-fluoroguanosine123402-21-152 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook