[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2S,3R,4S,5R)-3,4-Dihydroxy-5-Phenyl-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C21H27N5O13P2 |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2s,3r,4s,5r)-3,4-dihydroxy-5-phenyl-tetrahydrofuran-2-yl]methyl hydrogen phosphate |
| Molecular Mass | 619.412 g·mol−1 |
| Heat of Formation | -2618.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.44 ± 1.08 D |
| Volume | 637.76 Å 3 |
| Surface Area | 434.8 Å 2 |
| HOMO Energy | -9.34 ± 0.55 eV |
| LUMO Energy | -1.37 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MIRYWYJTLNGWRD-OBELPRQYSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |