4-Amino-8-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-5-Oxo-Pyrido[2,3-D]Pyrimidine-1,3-Diium-4A-Ide-6-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C13H16N5O6+ |
| IUPAC Name | 4-amino-8-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-oxo-1h-pyrido[2,3-d]pyrimidin-8-ium-6-carboxamide |
| Molecular Mass | 338.296 g·mol−1 |
| Heat of Formation | -930.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.06 ± 1.08 D |
| Volume | 347.67 Å 3 |
| Surface Area | 296.89 Å 2 |
| HOMO Energy | -9.88 ± 0.55 eV |
| LUMO Energy | -1.63 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KDQPBCHOLOEZBK-FITJORAGSA-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 |