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

Molecule SVG Image

Properties Simple | Detailed

Formula C20H30N5O13P3+
IUPAC Name [[(2s,3r,5s)-5-[2-(4-butylanilino)-6-oxo-3h-purine-1,7-diium-4-id-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 641.399 g·mol−1
Heat of Formation -3081.3 ± 16.7 kJ·mol−1
Dipole Moment 7.36 ± 1.08 D
Volume 655.72 Å 3
Surface Area 494.83 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.81 ± eV
Point Group Symmetry C1
InChIKey GPOKAZLJCWCBEY-PMPSAXMXSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N