[(2R,3R,4R,5R)-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-[(2R,3R,4R,5R,6R)-3-Hydroxy-6-(Hydroxymethyl)-4,5-Diphosphonooxy-Tetrahydropyran-2-Yl]Oxy-5-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C16H26N5O18P3 |
| IUPAC Name | [(2r,3r,4r,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-4-[(2r,3r,4r,5r,6r)-3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxy-tetrahydropyran-2-yl]oxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate |
| Molecular Mass | 669.322 g·mol−1 |
| Heat of Formation | -3944.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.91 ± 1.08 D |
| Volume | 652.5 Å 3 |
| Surface Area | 508.38 Å 2 |
| HOMO Energy | -9.06 ± 0.55 eV |
| LUMO Energy | -0.59 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WKZHRLLMIUWCJE-MZQFDOALSA-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 |