[[(2S,3R,4R,5R,6S)-6-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-4-[(2-Chloroacetyl)Amino]-3,5-Dihydroxy-Morpholin-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C12H21ClN7O15P3+ |
| IUPAC Name | [[(2s,3r,4r,5r,6s)-6-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-4-[(2-chloroacetyl)amino]-3,5-dihydroxy-morpholin-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
| Molecular Mass | 631.707 g·mol−1 |
| Heat of Formation | -3374.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 10.32 ± 1.08 D |
| Volume | 578.94 Å 3 |
| Surface Area | 440.02 Å 2 |
| HOMO Energy | -9.12 ± 0.55 eV |
| LUMO Energy | -1.88 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YFDGFUQNNLFVDS-POEGSYLUSA-P |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N P |