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

Molecule SVG Image

Properties Simple | Detailed

Formula C10H16N5O13P3S
IUPAC Name [[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 539.246 g·mol−1
Heat of Formation -3001.2 ± 16.7 kJ·mol−1
Dipole Moment 9.09 ± 1.08 D
Volume 509.45 Å 3
Surface Area 414.58 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
InChIKey OEDPXDKGWPSVQI-KIOICMOXSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P S