(2S,3S,4R,5R)-5-[2-Chloro-6-[(3-Iodophenyl)Methylamino]Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-N-Methyl-Tetrahydrofuran-2-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C18H18ClIN6O4 |
| IUPAC Name | (2s,3s,4r,5r)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purine-1,3,7-triium-9-yl]-3,4-dihydroxy-n-methyl-tetrahydrofuran-2-carboxamide |
| Molecular Mass | 544.731 g·mol−1 |
| Heat of Formation | -288.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.67 ± 1.08 D |
| Volume | 496.42 Å 3 |
| Surface Area | 434.06 Å 2 |
| HOMO Energy | -8.90 ± 0.55 eV |
| LUMO Energy | -0.63 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KBILVMDWAUWRPQ-PFHKOEEOSA-O |
| QR Code | Generate QR Code |
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| Elements | C Cl I H O N |