[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(1R,2S,3R,4R)-1-Formyl-2,3,4,5-Tetrahydroxy-Pentyl] [Hydroxy(Phosphonooxy)Phosphoryl] Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C16H26N5O18P3 |
| IUPAC Name | [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(1r,2s,3r,4r)-1-formyl-2,3,4,5-tetrahydroxy-pentyl] [hydroxy(phosphonooxy)phosphoryl] phosphate |
| Molecular Mass | 669.322 g·mol−1 |
| Heat of Formation | -3986.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.20 ± 1.08 D |
| Volume | 644.8 Å 3 |
| Surface Area | 447.25 Å 2 |
| HOMO Energy | -9.36 ± 0.55 eV |
| LUMO Energy | -1.77 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZDFVEUAEICMQFO-PCQSKEPZSA-O |
| QR Code | Generate QR Code |
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| Elements | P C H O N |