[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl] Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C16H27N5O15P2 |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphate |
| Molecular Mass | 591.358 g·mol−1 |
| Heat of Formation | -3106.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.80 ± 1.08 D |
| Volume | 597.78 Å 3 |
| Surface Area | 477.41 Å 2 |
| HOMO Energy | -9.29 ± 0.55 eV |
| LUMO Energy | -1.62 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MQGXTCKEAZADEZ-ROYWQJLOSA-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 |