[[(2S,3Ar,5R,6R,6Ar)-2,6-Dihydroxy-2-Oxo-3A,5,6,6A-Tetrahydrofuro[2,3-D][1,3,2]Dioxaphosphol-5-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C15H22N5O16P3 |
| IUPAC Name | [[(2s,3ar,5r,6r,6ar)-2,6-dihydroxy-2-oxo-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate |
| Molecular Mass | 621.280 g·mol−1 |
| Heat of Formation | -3524.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.30 ± 1.08 D |
| Volume | 587.5 Å 3 |
| Surface Area | 415.51 Å 2 |
| HOMO Energy | -8.85 ± 0.55 eV |
| LUMO Energy | -1.18 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OBTFYMFJBMIGPJ-KEOHHSTQSA-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 |