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

Molecule SVG Image

Properties Simple | Detailed

Formula C13H24N6O8P2
IUPAC Name 2-[2-(2-amino-6-oxo-3,8-dihydropurine-1,2,4,5,7,8-hexaid-9-yl)ethyl-[2-(2-phosphonoethoxy)ethyl]amino]ethylphosphonic acid
Molecular Mass 454.313 g·mol−1
Heat of Formation -1765.7 ± 16.7 kJ·mol−1
Dipole Moment 11.46 ± 1.08 D
Volume 481.28 Å 3
Surface Area 347.17 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 0.31 ± eV
Point Group Symmetry C1
InChIKey ONMAFLJUDYCSLA-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N