[[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-[2-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Phenoxy-Tetrahydropyran-3-Yl]Oxyethyl]Phosphinic Acid
Properties
| Property | Value |
|---|---|
| Formula | C24H35N5O16P2+ |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-[2-[(2s,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxy-tetrahydropyran-3-yl]oxyethyl]phosphinic acid |
| Molecular Mass | 711.506 g·mol−1 |
| Heat of Formation | -3134.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 11.07 ± 1.08 D |
| Volume | 729.36 Å 3 |
| Surface Area | 486.66 Å 2 |
| HOMO Energy | -8.95 ± 0.55 eV |
| LUMO Energy | -1.72 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MMMHXEGKKQYUIJ-WZOMXDCXSA-P |
| 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 |