6-Butoxy-9-(2-Deoxy-β-D-Erythro-Pentofuranosyl)-9H-Purin-2-Amine

Molecule SVG Image

Properties Simple | Detailed

Formula C14H21N5O4
IUPAC Name (2r,3s,5r)-5-(2-amino-6-butoxy-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
Molecular Mass 323.348 g·mol−1
Heat of Formation -527.6 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 374.33 Å 3
Surface Area 345.33 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,5r)-5-(2-amino-6-butoxy-9-purinyl)-2-(hydroxymethyl)-3-tetrahydrofuranol
  • (2r,3s,5r)-5-(2-amino-6-butoxy-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
  • (2r,3s,5r)-5-(2-amino-6-butoxy-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
  • (2r,3s,5r)-5-(2-amino-6-butoxy-purin-9-yl)-2-methylol-tetrahydrofuran-3-ol
  • (2r,3s,5r)-5-(2-amino-6-butoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
  • 2'-deoxy-o(6)-butylguanosine
  • 9h-purin-2-amine, 6-butoxy-9-(2-deoxy-beta-d-erythro-pentofuranosyl)-
  • o(6)-bdg
  • o(6)-butyl-2'-deoxyguanosine
  • o(6)-n-butyldeoxyguanosine
CAS Number(s)
  • 50704-48-8
InChIKey LXEMNXGQVVPJCH-IVZWLZJFSA-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