chempirical

Isoguanosine

C10H13N5O5CAS 1818-71-9283.24 g/mol

Open in Covalent MOL file
H2NNOHNNNOOHOHHO
AlcoholEtherPhenolPrimary amine

Properties

Molecular formula
C10H13N5O5
Molar mass
283.24 g/mol
Exact mass
283.0917 Da
Melting point
237–241 °C
logP
-2.27Crippen estimate
Polar surface area
159.8 Ų
H-bond donors / acceptors
5 / 9
Rotatable bonds
2
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
1818-71-9
SMILES
Nc1nc(O)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey
MIKUYHXYGGJMLM-UUOKFMHZSA-N
InChI
InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)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

11 names
  • Adenosine, 2,3-dihydro-2-oxo-
  • Adenosine, 1,2-dihydro-2-oxo-
  • 9H-Purin-2-ol, 6-amino-9-β-D-ribofuranosyl-
  • 2,3-Dihydro-2-oxoadenosine
  • Crotonoside
  • 9-β-D-Ribofuranosylisoguanine
  • Isoguanine riboside
  • 2-Hydroxyadenosine
  • Crotonosid
  • NSC 12161
  • 6-Amino-9[(1′-D-2′-ribofuranosyl)-4-hydroxy-5-(hydroxymethyl)-oxolan-2-yl]-1H-purin-2-one

Work with Isoguanosine

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

Xanthosine146-80-578 % similar 2-Chloroadenosine146-77-076 % similar 2-Fluoroadenosine146-78-175 % similar Fludarabine21679-14-175 % similar Adenosine, 2-chloro-, hydrate (2:1)81012-94-472 % similar Vidarabine5536-17-470 % similar Adenosine58-61-770 % similar Clofarabine123318-82-161 % similar

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

Same formula

Guanosine118-00-3 9-β-D-Arabinofuranosylguanine38819-10-2 Guanosine85-30-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook