[[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2S,3R,4S,5S,6R)-3-Fluoro-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl] Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C16H26FN5O15P2+ |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2s,3r,4s,5s,6r)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphate |
| Molecular Mass | 609.348 g·mol−1 |
| Heat of Formation | -3260.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.62 ± 1.08 D |
| Volume | 591.59 Å 3 |
| Surface Area | 420.26 Å 2 |
| HOMO Energy | -9.72 ± 0.55 eV |
| LUMO Energy | -1.37 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PJGFOXPZIWTXFX-XBJZVIKLSA-P |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N P |