7-Allyl-2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-3H-Purine-1,7,9-Triium-6,8-Dione
Properties
| Property | Value |
|---|---|
| Formula | C13H22N5O6+ |
| IUPAC Name | (2s,4r,5r)-7-allyl-2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,3,4,5-tetrahydro-1h-purin-3-ium-6,8-dione |
| Molecular Mass | 344.344 g·mol−1 |
| Heat of Formation | -812.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.43 ± 1.08 D |
| Volume | 366.57 Å 3 |
| Surface Area | 308.23 Å 2 |
| HOMO Energy | -8.62 ± 0.55 eV |
| LUMO Energy | 2.77 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KMFKGRIJMQRGBV-XFEACUPRSA-P |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |