[(1R,2R,3S,4R)-4-(6-Aminopurine-1,3,7-Triium-9-Yl)-2,3-Dihydroxy-Cyclopentyl]Methyl Phosphono Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C11H17N5O9P2 |
| IUPAC Name | [(1r,2r,3s,4r)-4-(6-aminopurine-1,3,7-triium-9-yl)-2,3-dihydroxy-cyclopentyl]methyl phosphono hydrogen phosphate |
| Molecular Mass | 425.228 g·mol−1 |
| Heat of Formation | -2024.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.18 ± 1.08 D |
| Volume | 429.71 Å 3 |
| Surface Area | 360.65 Å 2 |
| HOMO Energy | -9.04 ± 0.55 eV |
| LUMO Energy | -1.21 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XZMFCYAUOBQFGR-GCXDCGAKSA-O |
| QR Code | Generate QR Code |
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| Elements | P C H O N |