[[(2R,3S,4R,5R)-5-(2,8-Diamino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C10H18N6O14P3
IUPAC Name [[(2r,3s,4r,5r)-5-(2,8-diamino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 539.203 g·mol−1
Heat of Formation -3249.4 ± 16.7 kJ·mol−1
Dipole Moment 13.88 ± 1.08 D
Volume 503.72 Å 3
Surface Area 379.59 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -2.00 ± eV
Point Group Symmetry C1
InChIKey DOXFXYVKCVEERE-UMMCILCDSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N