2-Amino-9-{[(1R,2S)-2-(Hydroxymethyl)Cyclohexyl]Methyl}-3,9-Dihydro-6H-Purin-6-One

Molecule SVG Image

Properties Simple | Detailed

Formula C13H19N5O2
IUPAC Name 2-amino-9-[[(1r,2s)-2-(hydroxymethyl)cyclohexyl]methyl]-3h-purin-6-one
Molecular Mass 277.322 g·mol−1
Heat of Formation -189.0 ± 16.7 kJ·mol−1
Dipole Moment 14.50 ± 1.08 D
Volume 326.29 Å 3
Surface Area 280.3 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 3.18 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-9-[[(1r,2s)-2-(hydroxymethyl)cyclohexyl]methyl]-3h-purin-6-one
  • 2-amino-9-[[(1r,2s)-2-methylolcyclohexyl]methyl]-3h-purin-6-one
InChIKey NNUZPTLISFKQLP-DTWKUNHWSA-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