(1R)-5-[(R)-[(2S,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Methyl]-1,5-Anhydro-1-[(1S)-1,2-Dihydroxyethyl]-D-Arabinitol
Properties
| Property | Value |
|---|---|
| Formula | C17H27N5O16P2 |
| IUPAC Name | [(r)-[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-[(2r,3s,4s,5s,6r)-6-[(1s)-1,2-dihydroxyethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl] phosphono hydrogen phosphate |
| Molecular Mass | 619.368 g·mol−1 |
| Heat of Formation | -3338.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.37 ± 1.08 D |
| Volume | 615.96 Å 3 |
| Surface Area | 481.26 Å 2 |
| HOMO Energy | -9.19 ± 0.55 eV |
| LUMO Energy | -1.94 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZLCOQKCHOKULQU-NSQRXZRYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |