2-[(1S,2R,3S,4R,5R)-2-(6-Amino-2-Chloro-Purine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-5-Bicyclo[3.1.0]Hexanyl]Ethylphosphonic Acid
Properties
| Property | Value |
|---|---|
| Formula | C13H17ClN5O5P |
| IUPAC Name | 2-[(1s,2r,3s,4r,5r)-2-(6-amino-2-chloro-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-5-bicyclo[3.1.0]hexanyl]ethylphosphonic acid |
| Molecular Mass | 389.731 g·mol−1 |
| Heat of Formation | -642.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.17 ± 1.08 D |
| Volume | 405.94 Å 3 |
| Surface Area | 355.3 Å 2 |
| HOMO Energy | -9.28 ± 0.55 eV |
| LUMO Energy | -0.84 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GYTCWCIDCPKJIB-XEMBYONJSA-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 |