[(1S,2R,5S)-5-(6-Amino-9H-Purin-9-Yl)-3-Cyclopentene-1,2-Diyl]Dimethanol

Molecule SVG Image

Properties Simple | Detailed

Formula C12H15N5O2
IUPAC Name [(1r,4s,5s)-4-(6-aminopurin-9-ium-9-yl)-5-(hydroxymethyl)cyclopent-2-en-1-yl]methanol
Molecular Mass 261.280 g·mol−1
Heat of Formation -59.4 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 305.75 Å 3
Surface Area 270.05 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 3-cyclopentene-1,2-dimethanol, 5-(6-amino-9h-purin-9-yl)-, (1s-(1alpha,2beta,5beta))-
  • 9-(4,5-bishydroxymethylcyclopent-2-en-1-yl)-9h-adenine
  • 9-(c-4,t-5-bishydroxymethylcyclopent-2-en-r-1-yl)-9h-adenine
  • 9-bca
  • [(1s,2s,5r)-2-(6-amino-9-purinyl)-5-(hydroxymethyl)-1-cyclopent-3-enyl]methanol
  • [(1s,2s,5r)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-1-cyclopent-3-enyl]methanol
  • [(1s,2s,5r)-2-(6-aminopurin-9-yl)-5-methylol-1-cyclopent-3-enyl]methanol
CAS Number(s)
  • 142187-88-0
InChIKey ZGCLIXGLQFSZRB-CIUDSAMLSA-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