2-Amino-5-(Aminomethyl)-7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-1H-Pyrrolo[2,3-D]Pyrimidine-3,7-Diium-7A-Ylium-4-One
Properties
| Property | Value |
|---|---|
| Formula | C12H18N5O5+ |
| IUPAC Name | 2-amino-5-(aminomethyl)-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1h-pyrrolo[2,3-d]pyrimidine-3,7-diium-7a-ylium-4-one |
| Molecular Mass | 312.302 g·mol−1 |
| Heat of Formation | -673.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.89 ± 1.08 D |
| Volume | 338.79 Å 3 |
| Surface Area | 298.69 Å 2 |
| HOMO Energy | -8.67 ± 0.55 eV |
| LUMO Energy | 0.09 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UPGLZFLDBIDPDQ-IOSLPCCCSA-P |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |