(2S,3R)-2-{[(9-{(2R,3R,4S,5R)-3,4-Dihydroxy-5-[(Phosphonooxy)Methyl]Tetrahydro-2-Furanyl}-9H-Purin-6-Yl)(Methyl)Carbamoyl]Amino}-3-Hydroxybutanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C16H23N6O11P |
| IUPAC Name | (2s,3r)-2-[[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]-methyl-carbamoyl]amino]-3-hydroxy-butanoic acid |
| Molecular Mass | 506.361 g·mol−1 |
| Heat of Formation | -2081.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.22 ± 1.08 D |
| Volume | 528.63 Å 3 |
| Surface Area | 412.21 Å 2 |
| HOMO Energy | -9.22 ± 0.55 eV |
| LUMO Energy | -0.83 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VIABIDFODSKCDL-KQSSXJRRSA-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 |