(2S,3S,4R,5R)-5-[6-[(3-Aminophenyl)Methylamino]Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-N-Methyl-Tetrahydrofuran-2-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C18H21N7O4 |
| IUPAC Name | (2s,3s,4r,5r)-5-[6-[(3-aminophenyl)methylamino]purine-1,3,7-triium-9-yl]-3,4-dihydroxy-n-methyl-tetrahydrofuran-2-carboxamide |
| Molecular Mass | 399.404 g·mol−1 |
| Heat of Formation | -340.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.39 ± 1.08 D |
| Volume | 445.89 Å 3 |
| Surface Area | 399.19 Å 2 |
| HOMO Energy | -8.60 ± 0.55 eV |
| LUMO Energy | -0.21 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CHHIBSVKUWGMDK-MOROJQBDSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |