[(2R,3S,4R,5R)-5-[6-Amino-2-(3-Aminopropylsulfanyl)Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C13H22N6O10P2S |
| IUPAC Name | [(2r,3s,4r,5r)-5-[6-amino-2-(3-aminopropylsulfanyl)purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate |
| Molecular Mass | 516.361 g·mol−1 |
| Heat of Formation | -2169.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.84 ± 1.08 D |
| Volume | 530.0 Å 3 |
| Surface Area | 436.12 Å 2 |
| HOMO Energy | -8.79 ± 0.55 eV |
| LUMO Energy | -1.35 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JHMCKCNGXBZXFV-WOUKDFQISA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |