(2S,3S,3As,5S)-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-5-[(S)-Carboxy(Hydroxy)Methyl]-3-Hydroxy-3,3A-Dihydro-2H-Furo[3,2-B]Furan-5-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C14H13N5O8 |
| IUPAC Name | (2s,3s,3as,5s)-2-(6-aminopurine-1,3,7-triium-9-yl)-5-[(s)-carboxy(hydroxy)methyl]-3-hydroxy-3,3a-dihydro-2h-furo[3,2-b]furan-5-carboxylic acid |
| Molecular Mass | 379.282 g·mol−1 |
| Heat of Formation | -991.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.15 ± 1.08 D |
| Volume | 387.11 Å 3 |
| Surface Area | 319.82 Å 2 |
| HOMO Energy | -9.40 ± 0.55 eV |
| LUMO Energy | -0.94 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BNLSPJHGOMYORV-JHZLESLWSA-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 |