3'-O-[Butoxy(Hydroxy)Phosphoryl]Adenosine

Molecule SVG Image

Properties Simple | Detailed

Formula C14H22N5O7P
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] butyl hydrogen phosphate
Molecular Mass 403.328 g·mol−1
Heat of Formation -1354.8 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 436.09 Å 3
Surface Area 380.37 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-(1-butylphosphoryl)adenosine
  • 3'-adenylic acid, monobutyl ester
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-2-(hydroxymethyl)-3-tetrahydrofuranyl] butyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] butyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] butyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] butyl hydrogen phosphate
  • b-factor
CAS Number(s)
  • 52278-63-4
InChIKey RVVKQBUWQFREIE-IDTAVKCVSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C P O N