[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-[[Hydroxy-[(E)-6-(4-Hydroxy-6-Methoxy-7-Methyl-3-Oxo-1H-Isobenzofuran-5-Yl)-4-Methyl-Hex-4-Enoxy]Phosphoryl]Methyl]Phosphinic Acid
Properties
| Property | Value |
|---|---|
| Formula | C28H37N5O13P2 |
| IUPAC Name | [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[hydroxy-[(e)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-isobenzofuran-5-yl)-4-methyl-hex-4-enoxy]phosphoryl]methyl]phosphinic acid |
| Molecular Mass | 713.567 g·mol−1 |
| Heat of Formation | -2490.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.19 ± 1.08 D |
| Volume | 771.49 Å 3 |
| Surface Area | 555.32 Å 2 |
| HOMO Energy | -9.30 ± 0.55 eV |
| LUMO Energy | -0.93 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JYOQCPTYPPEAJC-XSWWPAJNSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |