3-[3-[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)Tetrahydrofuran-2-Yl]Propanoyl]Benzoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C19H20N4O7+ |
| IUPAC Name | 3-[3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-oxo-3h-purine-1,7-diium-4-id-9-yl)tetrahydrofuran-2-yl]propanoyl]benzoic acid |
| Molecular Mass | 416.385 g·mol−1 |
| Heat of Formation | -860.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 12.26 ± 1.08 D |
| Volume | 450.42 Å 3 |
| Surface Area | 392.99 Å 2 |
| HOMO Energy | -9.11 ± 0.55 eV |
| LUMO Energy | 1.73 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OWPZYCOCNAPSAO-SCFUHWHPSA-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 |