[Hydroxy-[[(2R,3S,5R)-3-Hydroxy-5-(6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)Tetrahydrofuran-2-Yl]Methoxy]Phosphoryl] Phosphono Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C10H17N4O13P3+ |
IUPAC Name | [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(6-oxo-3h-purine-1,7-diium-4-id-9-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate |
Molecular Mass | 494.182 g·mol−1 |
Heat of Formation | -3025.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 11.03 ± 1.08 D |
Volume | 460.13 Å 3 |
Surface Area | 340.49 Å 2 |
HOMO Energy | -8.85 ± 0.55 eV |
LUMO Energy | -1.93 ± eV |
Point Group Symmetry | C1 |
InChIKey | BTJABBKXPGWKGT-RRKCRQDMSA-P |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |