[3-(6-Amino-9H-Purin-9-Yl)-1,2-Cyclobutanediyl]Dimethanol

Molecule SVG Image

Properties Simple | Detailed

Formula C11H15N5O2
IUPAC Name [(1r,2r,3r)-3-(6-aminopurin-9-ium-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
Molecular Mass 249.269 g·mol−1
Heat of Formation -82.5 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 290.76 Å 3
Surface Area 263.51 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,2r,4r)-2-(6-amino-9-purinyl)-4-(hydroxymethyl)cyclobutyl]methanol
  • [(1r,2r,4r)-2-(6-aminopurin-9-yl)-4-(hydroxymethyl)cyclobutyl]methanol
  • [(1r,2r,4r)-2-(6-aminopurin-9-yl)-4-methylol-cyclobutyl]methanol
InChIKey PYJIWOQTJHPDAK-XLPZGREQSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N