[(2R,3S,4R,5R)-5-[6-(Benzylamino)Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C17H21N5O10P2 |
| IUPAC Name | [(2r,3s,4r,5r)-5-[6-(benzylamino)purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate |
| Molecular Mass | 517.324 g·mol−1 |
| Heat of Formation | -2043.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.17 ± 1.08 D |
| Volume | 533.38 Å 3 |
| Surface Area | 465.8 Å 2 |
| HOMO Energy | -8.89 ± 0.55 eV |
| LUMO Energy | -1.42 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YBBNVIXYJHXMLB-LSCFUAHRSA-O |
| 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 |