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

Molecule SVG Image

Properties Simple | Detailed

Formula C11H22N5O3+
IUPAC Name 2-amino-9-[[(1s,2r)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-3,8-dihydropurine-1,2,4,5,7,8-hexaid-6-one
Molecular Mass 272.324 g·mol−1
Heat of Formation -208.0 ± 16.7 kJ·mol−1
Dipole Moment 12.18 ± 1.08 D
Volume 301.89 Å 3
Surface Area 262.48 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (1's,2'r)-9-{[1',2'-bis(hydroxymethyl)cycloprop-1'-yl]methyl}guanine
  • 2-amino-9-[[(1s,2r)-1,2-dimethylolcyclopropyl]methyl]-3h-purin-6-one
  • a-5021
InChIKey JLYSZBQNRJVPEP-KGFZYKRKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N