2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-8-(4-Methylanilino)Purine-1,3,7-Triium-6-One; 3-Oxidodioxaphosphirane
Properties
| Property | Value |
|---|---|
| Formula | C22H21N6O8P-- |
| IUPAC Name | 2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-[4-[3-(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)phenyl]anilino]-3h-purine-1,7-diium-4-id-6-one |
| Molecular Mass | 528.411 g·mol−1 |
| Heat of Formation | -844.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 15.75 ± 1.08 D |
| Volume | 552.89 Å 3 |
| Surface Area | 470.66 Å 2 |
| HOMO Energy | -8.18 ± 0.55 eV |
| LUMO Energy | 2.15 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SZRVCSYHRZGROV-WVSUBDOOSA-L |
| QR Code | Generate QR Code |
| Links | PubChem |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |