[(2R,3R,4R,5R,6R)-6-[(2R,3R,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-2-(Hydroxymethyl)-4-Phosphonooxy-Tetrahydrofuran-3-Yl]Oxy-5-Hydroxy-3,4-Diphosphonooxy-Tetrahydropyran-2-Yl]Methyl Acetate
Properties
| Property | Value |
|---|---|
| Formula | C18H28N5O19P3 |
| IUPAC Name | [(2r,3r,4r,5r,6r)-6-[(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-2-(hydroxymethyl)-4-phosphonooxy-tetrahydrofuran-3-yl]oxy-5-hydroxy-3,4-diphosphonooxy-tetrahydropyran-2-yl]methyl acetate |
| Molecular Mass | 711.358 g·mol−1 |
| Heat of Formation | -4162.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.53 ± 1.08 D |
| Volume | 707.95 Å 3 |
| Surface Area | 501.71 Å 2 |
| HOMO Energy | -9.46 ± 0.55 eV |
| LUMO Energy | 2.06 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZPOXAEOYFULHEC-WKGHCRPTSA-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 |