9-((2R,4S)-4-(Hydroxymethyl)-2-Oxetanyl)Adenine

Molecule SVG Image

Properties Simple | Detailed

Formula C9H11N5O2
IUPAC Name [(2s,4r)-4-(6-aminopurin-9-ium-9-yl)oxetan-2-yl]methanol
Molecular Mass 221.216 g·mol−1
Heat of Formation -32.7 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 241.27 Å 3
Surface Area 223.08 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 9-[(2r,4s)-4-(hydroxymethyl)-2-oxetanyl]adenine
  • [(2s,4r)-4-(6-amino-9-purinyl)-2-oxetanyl]methanol
  • [(2s,4r)-4-(6-aminopurin-9-yl)oxetan-2-yl]methanol
  • nr-62112
  • ohme-oxetanyl-a
CAS Number(s)
  • 126170-40-9
InChIKey QNROWADMDDKKHX-NTSWFWBYSA-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