[(2R,3S,4S,5R)-5-(4-Amino-5-Iodo-2-Oxo-Pyrimidin-3-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C9H14IN3O8P+ |
| IUPAC Name | [(2r,3s,4s,5r)-5-(4-amino-5-iodo-2-oxo-1h-pyrimidin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 450.101 g·mol−1 |
| Heat of Formation | -1582.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.94 ± 1.08 D |
| Volume | 362.75 Å 3 |
| Surface Area | 299.9 Å 2 |
| HOMO Energy | -8.79 ± 0.55 eV |
| LUMO Energy | -0.60 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CIUBKYYOJNFMQN-MNCSTQPFSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C I H O N P |