{[4-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-2-Methylenebutoxy]Methyl}Phosphonic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C11H16N5O5P
IUPAC Name [4-(2-amino-6-oxo-3h-purin-9-yl)-2-methylene-butoxy]methylphosphonic acid
Molecular Mass 329.249 g·mol−1
Heat of Formation -853.9 ± 16.7 kJ·mol−1
Dipole Moment 14.19 ± 1.08 D
Volume 360.09 Å 3
Surface Area 308.71 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 2.69 ± eV
Point Group Symmetry C1
Synonyms
  • ((4-(2-amino-1,6-dihydro-6-oxo-9h-purin-9-yl)-2-methylenebutoxy)methyl)phosphonic acid
  • ((4-(2-amino-1,6-dihydro-6-oxo-9h-purin-9-yl)-2-methylenebutoxy)methyl)phosphoric acid
  • 2-[2-(2-amino-6-keto-3h-purin-9-yl)ethyl]prop-2-enoxymethylphosphonic acid
  • 9-(2-methylidene-3-(phosphonomethoxy)propyl)guanine
  • [4-(2-amino-6-oxo-3h-purin-9-yl)-2-methylene-butoxy]methylphosphonic acid
  • [4-(2-amino-6-oxo-3h-purin-9-yl)-2-methylenebutoxy]methylphosphonic acid
  • [4-(2-amino-6-oxo-3h-purin-9-yl)-2-methylidene-butoxy]methylphosphonic acid
  • phosphonic acid, ((4-(2-amino-1,6-dihydro-6-oxo-9h-purin-9-yl)-2-methylenebutoxy)methyl)-
  • phosphoric acid, ((4-(2-amino-1,6-dihydro-6-oxo-9h-purin-9-yl)-2-methylenebutoxy)methyl)-
CAS Number(s)
  • 176434-89-2
InChIKey KCQPHHMIPYIKOA-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N