9-[(2S,3Ar,4R,6R,6Ar)-2-Hydroxy-6-(Hydroxymethyl)-2-Oxo-3A,4,6,6A-Tetrahydrofuro[3,4-D][1,3,2]Dioxaphosphol-4-Yl]-2-Amino-3H-Purine-1,7-Diium-4-Id-6-One
Properties
| Property | Value |
|---|---|
| Formula | C10H13N5O7P |
| IUPAC Name | 9-[(2s,3ar,4r,6r,6ar)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-2-amino-3h-purine-1,7-diium-4-id-6-one |
| Molecular Mass | 346.213 g·mol−1 |
| Heat of Formation | -1208.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 11.83 ± 1.08 D |
| Volume | 337.98 Å 3 |
| Surface Area | 301.15 Å 2 |
| HOMO Energy | -9.24 ± 0.55 eV |
| LUMO Energy | -0.76 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LFLTWVYBZLGRFN-UUOKFMHZSA-P |
| 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 |