(2R,3R,4S,5R)-2-[6-[[(1R)-2-(4-Hydroxy-3-Iodo-Phenyl)-1-Methyl-Ethyl]Amino]Purine-1,3,7-Triium-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol
Properties
| Property | Value |
|---|---|
| Formula | C19H22IN5O5 |
| IUPAC Name | (2r,3r,4s,5r)-2-[6-[[(1r)-2-(4-hydroxy-3-iodo-phenyl)-1-methyl-ethyl]amino]purine-1,3,7-triium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol |
| Molecular Mass | 527.313 g·mol−1 |
| Heat of Formation | -555.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.57 ± 1.08 D |
| Volume | 497.63 Å 3 |
| Surface Area | 376.78 Å 2 |
| HOMO Energy | -8.77 ± 0.55 eV |
| LUMO Energy | -0.60 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BOWWCGJIXQYDCA-DQXDPGMCSA-O |
| QR Code | Generate QR Code |
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| Elements | I H C O N |