[(2R,3S,5R)-3-Hydroxy-5-[6-[[(2R)-2-Hydroxy-2-Phenyl-Ethyl]Amino]Purine-1,3,7-Triium-9-Yl]Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C18H22N5O7P |
| IUPAC Name | [(2r,3s,5r)-3-hydroxy-5-[6-[[(2r)-2-hydroxy-2-phenyl-ethyl]amino]purine-1,3,7-triium-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 451.370 g·mol−1 |
| Heat of Formation | -1249.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.81 ± 1.08 D |
| Volume | 483.4 Å 3 |
| Surface Area | 421.33 Å 2 |
| HOMO Energy | -8.79 ± 0.55 eV |
| LUMO Energy | 2.59 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QSQAYMNJNYENPO-BYNSBNAKSA-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 |