[(2R,3R,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]Oxy-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C15H25N5O14P2 |
| IUPAC Name | [(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 561.332 g·mol−1 |
| Heat of Formation | -2894.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.75 ± 1.08 D |
| Volume | 549.88 Å 3 |
| Surface Area | 426.0 Å 2 |
| HOMO Energy | -9.21 ± 0.55 eV |
| LUMO Energy | -0.97 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UJNGUYQNBSEKOV-ZQSHOCFMSA-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 |