[(1S,2R,4S,5R)-2-[2-Iodo-6-(Methylamino)Purine-1,3,7-Triium-9-Yl]-4-Phosphonooxy-5-Bicyclo[3.1.0]Hexanyl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C13H18IN5O8P2 |
| IUPAC Name | [(1s,2r,4s,5r)-2-[2-iodo-6-(methylamino)purine-1,3,7-triium-9-yl]-4-phosphonooxy-5-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate |
| Molecular Mass | 561.163 g·mol−1 |
| Heat of Formation | -1681.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.96 ± 1.08 D |
| Volume | 486.63 Å 3 |
| Surface Area | 407.19 Å 2 |
| HOMO Energy | -8.54 ± 0.55 eV |
| LUMO Energy | -0.41 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KMRDIOPGAUQTPN-IFVJFDFSSA-O |
| QR Code | Generate QR Code |
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| Elements | C I H O N P |