[(2R,3S,4R,5R)-5-[6-Amino-2-(3-Bromopropa-1,2-Dienylsulfanyl)Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C13H15BrN5O7PS |
| IUPAC Name | [(2r,3s,4r,5r)-5-[6-amino-2-(3-bromopropa-1,2-dienylsulfanyl)purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 496.230 g·mol−1 |
| Heat of Formation | -1143.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.89 ± 1.08 D |
| Volume | 454.49 Å 3 |
| Surface Area | 354.07 Å 2 |
| HOMO Energy | -8.74 ± 0.55 eV |
| LUMO Energy | -0.93 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VVBXALLAGZQPGJ-YEAGJPMLSA-O |
| QR Code | Generate QR Code |
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| Elements | C H O N P S Br |