chempirical

9-β-D-Arabinofuranosylguanine

C10H13N5O5CAS 38819-10-2283.24 g/mol

Open in Covalent MOL file
NHNHONNOOHOHOHNH
AlcoholEtherPhenol

Properties

Molecular formula
C10H13N5O5
Molar mass
283.24 g/mol
Exact mass
283.0917 Da
logP
-2.44Crippen estimate
Polar surface area
160.5 Ų
H-bond donors / acceptors
6 / 8
Rotatable bonds
2
Stereocentres
R, R, S, Sin SMILES atom order

Identifiers

CAS number
38819-10-2
SMILES
N=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2[nH]1
InChIKey
NYHBQMYGNKIUIF-FJFJXFQQSA-N
InChI
InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6+,9-/m1/s1

Weigh it out

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

Names and synonyms

10 names
  • 6H-Purin-6-one, 2-amino-9-β-D-arabinofuranosyl-1,9-dihydro-
  • Guanine, 9-β-D-arabinofuranosyl-
  • 2-Amino-9-β-D-arabinofuranosyl-1,9-dihydro-6H-purin-6-one
  • 2-Amino-6-hydroxy-9-(β-D-arabinofuranosyl)purine
  • Guanine arabinoside
  • Araguanosine
  • Ara-Guanosine
  • NSC 76352
  • Arabinoguanosine
  • A 4233

Work with 9-β-D-Arabinofuranosylguanine

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

2-Amino-9-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one103884-98-681 % similar 3′-Deoxy-3′-fluoroguanosine123402-21-181 % similar 3′-O-Methylguanosine10300-27-379 % similar 2′-O-Methylguanosine2140-71-879 % similar Thioguanosine85-31-477 % similar Nelarabine121032-29-976 % similar N2-Methylguanosine2140-77-471 % similar Guanosine monophosphate85-32-570 % similar

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

Same formula

Guanosine118-00-3 Isoguanosine1818-71-9 Guanosine85-30-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook