[(2S,4Ar,6R,7R,7Ar)-6-[6-(2,2-Dimethylpropanoylamino)Purine-1,3,7-Triium-9-Yl]-2-Hydroxy-2-Oxo-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-7-Yl] 2,2-Dimethylpropanoate
Properties
| Property | Value |
|---|---|
| Formula | C20H28N5O8P |
| IUPAC Name | [(2s,4ar,6r,7r,7ar)-6-[6-(2,2-dimethylpropanoylamino)purine-1,3,7-triium-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] 2,2-dimethylpropanoate |
| Molecular Mass | 497.439 g·mol−1 |
| Heat of Formation | -1501.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.91 ± 1.08 D |
| Volume | 552.5 Å 3 |
| Surface Area | 457.09 Å 2 |
| HOMO Energy | -9.23 ± 0.55 eV |
| LUMO Energy | -0.77 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HTZFFGHVMZNUOU-XNIJJKJLSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |