[[(2S,3R,4R,5R)-5-(6-Amino-2-Chloro-Purine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Methylphosphonic Acid
Properties
| Property | Value |
|---|---|
| Formula | C11H16ClN5O9P2 |
| IUPAC Name | [[(2s,3r,4r,5r)-5-(6-amino-2-chloro-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]methylphosphonic acid |
| Molecular Mass | 459.673 g·mol−1 |
| Heat of Formation | -1916.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.66 ± 1.08 D |
| Volume | 446.52 Å 3 |
| Surface Area | 375.76 Å 2 |
| HOMO Energy | -9.42 ± 0.55 eV |
| LUMO Energy | -0.99 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PHEZOMSZPZHXOP-FCIPNVEPSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N P |