(1S,2R,3S,4R,5S)-2-[2-Chloro-6-[(3-Chlorophenyl)Methylamino]Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-N-Methyl-Bicyclo[3.1.0]Hexane-5-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C20H20Cl2N6O3 |
| IUPAC Name | (1s,2r,3s,4r,5s)-2-[2-chloro-6-[(3-chlorophenyl)methylamino]purine-1,3,7-triium-9-yl]-3,4-dihydroxy-n-methyl-bicyclo[3.1.0]hexane-5-carboxamide |
| Molecular Mass | 463.317 g·mol−1 |
| Heat of Formation | -149.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.66 ± 1.08 D |
| Volume | 503.92 Å 3 |
| Surface Area | 438.26 Å 2 |
| HOMO Energy | -9.06 ± 0.55 eV |
| LUMO Energy | -1.04 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JJHLTJGBXLCEGF-DDDALXFXSA-O |
| QR Code | Generate QR Code |
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| Elements | H C N O Cl |