[(2S,3Ar,4R,6R,6Ar)-4-[6-(Ethylcarbamoylamino)Purine-1,3,7-Triium-9-Yl]-2-[(E)-Styryl]-3A,4,6,6A-Tetrahydrofuro[3,4-D][1,3]Dioxol-6-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C22H25N6O8P |
| IUPAC Name | [(2s,3ar,4r,6r,6ar)-4-[6-(ethylcarbamoylamino)purine-1,3,7-triium-9-yl]-2-[(e)-styryl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate |
| Molecular Mass | 532.443 g·mol−1 |
| Heat of Formation | -1251.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.54 ± 1.08 D |
| Volume | 572.88 Å 3 |
| Surface Area | 506.8 Å 2 |
| HOMO Energy | -9.19 ± 0.55 eV |
| LUMO Energy | -0.67 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PFCKWXHGFGPYSO-XIXRRVGJSA-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 |