(E)-2-[6-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]Purine-1,3,7-Triium-8-Yl]Sulfanylethylidene-(2-Chloroacetyl)Ammonium
Properties
| Property | Value |
|---|---|
| Formula | C14H19ClN6O8PS |
| IUPAC Name | (e)-2-[6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-8-yl]sulfanylethylidene-(2-chloroacetyl)ammonium |
| Molecular Mass | 497.828 g·mol−1 |
| Heat of Formation | -1496.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.51 ± 1.08 D |
| Volume | 488.14 Å 3 |
| Surface Area | 389.8 Å 2 |
| HOMO Energy | -8.80 ± 0.55 eV |
| LUMO Energy | -1.08 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZQAOZNIEEHRSGT-QPFBEWOZSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N P S |