5'-[[(Z)-4-Amino-2-Butenyl]Methylamino]-5'-Deoxyadenosine

Molecule SVG Image

Properties Simple | Detailed

Formula C15H23N7O3
IUPAC Name (2r,3s,4r,5r)-2-[[[(z)-4-aminobut-2-enyl]-methyl-amino]methyl]-5-(6-aminopurin-9-ium-9-yl)tetrahydrofuran-3,4-diol
Molecular Mass 349.388 g·mol−1
Heat of Formation -229.9 ± 16.7 kJ·mol−1
Dipole Moment 1.78 ± 1.08 D
Volume 411.16 Å 3
Surface Area 319.41 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4r,5r)-2-[[[(z)-4-aminobut-2-enyl]-methyl-amino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
  • (2r,3s,4r,5r)-2-[[[(z)-4-aminobut-2-enyl]-methyl-amino]methyl]-5-(6-aminopurin-9-yl)tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-[[[(z)-4-aminobut-2-enyl]-methylamino]methyl]-5-(6-amino-9-purinyl)tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-[[[(z)-4-aminobut-2-enyl]-methylamino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
  • 5'-(((z)-4-amino-2-butenyl)methylamino)-5'-deoxyadenosine
  • abeado
  • adenosine, 5'-(((2z)-4-amino-2-butenyl)methylamino)-5'-deoxy-
  • adenosine, 5'-((4-amino-2-butenyl)methylamino)-5'-deoxy-, (z)-
  • mdl 73811
CAS Number(s)
  • 123642-27-3
InChIKey YWJCZGDVJQLZET-GGHFOJMISA-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