6-Oxo-9-(5-O-Phosphonopentofuranosyl)-6,7-Dihydro-3H-Purin-9-Ium

Molecule SVG Image

Properties Simple | Detailed

Formula C10H13N4O8P
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-oxo-1h-purine-3,7-diium-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 348.206 g·mol−1
Heat of Formation -1502.3 ± 16.7 kJ·mol−1
Dipole Moment 6.96 ± 1.08 D
Volume 345.85 Å 3
Surface Area 301.89 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
InChIKey KXJIKJKZEBZVDD-KQYNXXCUSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N