(3S)-3-Amino-4-[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-4-Oxo-Butanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C14H19N6O10P |
| IUPAC Name | (3s)-3-amino-4-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-oxo-butanoic acid |
| Molecular Mass | 462.309 g·mol−1 |
| Heat of Formation | -1890.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.63 ± 1.08 D |
| Volume | 472.83 Å 3 |
| Surface Area | 410.37 Å 2 |
| HOMO Energy | -9.26 ± 0.55 eV |
| LUMO Energy | -0.72 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZEHKKSGMRBHGOK-VWJPMABRSA-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 |