(2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-[(3-Iodophenyl)Methylamino]Purine-1,3,7-Triium-9-Yl]-N-Methyl-Tetrahydrofuran-2-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C18H19IN6O4 |
| IUPAC Name | (2s,3s,4r,5r)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purine-1,3,7-triium-9-yl]-n-methyl-tetrahydrofuran-2-carboxamide |
| Molecular Mass | 510.286 g·mol−1 |
| Heat of Formation | -269.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.68 ± 1.08 D |
| Volume | 471.72 Å 3 |
| Surface Area | 414.6 Å 2 |
| HOMO Energy | -8.75 ± 0.55 eV |
| LUMO Energy | 2.47 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RCHVIJODUBJHRW-MOROJQBDSA-O |
| QR Code | Generate QR Code |
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| Elements | I H C O N |