(2R,3R,4S,5R)-2-[6-Amino-8-[(3,4-Dichlorophenyl)Methylamino]Purine-1,3,7-Triium-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol
Properties
| Property | Value |
|---|---|
| Formula | C17H20Cl2N6O4 |
| IUPAC Name | (2r,3r,4s,5r)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purine-1,3,7-triium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol |
| Molecular Mass | 443.284 g·mol−1 |
| Heat of Formation | -449.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.69 ± 1.08 D |
| Volume | 463.09 Å 3 |
| Surface Area | 386.65 Å 2 |
| HOMO Energy | -8.74 ± 0.55 eV |
| LUMO Energy | 2.19 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RHRTXFLGMKNBRJ-XNIJJKJLSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |