[[(2S,4R,5R)-5-(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)-4-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C10H18N5O13P3+ |
IUPAC Name | [[(2s,4r,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
Molecular Mass | 509.197 g·mol−1 |
Heat of Formation | -3046.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.41 ± 1.08 D |
Volume | 486.92 Å 3 |
Surface Area | 413.31 Å 2 |
HOMO Energy | -8.97 ± 0.55 eV |
LUMO Energy | -1.63 ± eV |
Point Group Symmetry | C1 |
InChIKey | XLRHJPFWJYAUPD-OBXARNEKSA-P |
QR Code | Generate QR Code |
Links | |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |