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

Molecule SVG Image

Properties Simple | Detailed

Formula C14H14N5O4P
IUPAC Name [(e)-2-[2-[(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)methyl]phenyl]vinyl]phosphonic acid
Molecular Mass 347.266 g·mol−1
Heat of Formation -529.7 ± 16.7 kJ·mol−1
Dipole Moment 11.89 ± 1.08 D
Volume 373.41 Å 3
Surface Area 313.84 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2-(2-((2-amino-1,6-dihydro-6-oxo-9h-purin-9-yl)methyl)phenyl)ethenyl)phosphonic acid
  • [(e)-2-[2-[(2-amino-6-keto-3h-purin-9-yl)methyl]phenyl]vinyl]phosphonic acid
  • [(e)-2-[2-[(2-amino-6-oxo-3h-purin-9-yl)methyl]phenyl]vinyl]phosphonic acid
  • mdl 74,428
  • mdl 74428
  • phosphonic acid, (2-(2-((2-amino-1,6-dihydro-6-oxo-9h-purin-9-yl)methyl)phenyl)ethenyl)-
CAS Number(s)
  • 139981-26-3
InChIKey ZIHFEHLASQGCRW-AATRIKPKSA-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