(2R,3S,4R,5R)-2-[[(1R,3S)-13-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-12-Methyl-5,7-Dioxido-3,5,7-Trioxo-Blahbicyclo[9.3.0]Tetradec-11-En-3-Yl]Oxymethyl]-5-(6-Aminopurin-9-Ium-5-Ylium-9-Yl)Tetrahydrofuran-3,4-Diol
Properties
| Property | Value |
|---|---|
| Formula | C22H31N9O13P3S |
| IUPAC Name | (2r,3s,4r,5r)-2-[[(1r,3s)-13-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-12-methyl-5,7-dioxido-3,5,7-trioxo-blahbicyclo[9.3.0]tetradec-11-en-3-yl]oxymethyl]-5-(6-aminopurin-9-ium-5-ylium-9-yl)tetrahydrofuran-3,4-diol |
| Molecular Mass | 754.520 g·mol−1 |
| Heat of Formation | -2493.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.83 ± 1.08 D |
| Volume | 741.83 Å 3 |
| Surface Area | 524.14 Å 2 |
| HOMO Energy | -8.02 ± 0.55 eV |
| LUMO Energy | -1.10 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OTJAHAFKIQKNOA-FXKYGPOYSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Elements | C H O N P S |