Ethyl (3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]-3,5,9-Trihydroxy-8,8-Dimethyl-10,14-Dioxo-2,4,6-Trioxa-11,15-Diaza-3,5-Diphosphaicosan-20-Oa Te 3,5-Dioxide (Non-Preferred Name)
Properties
| Property | Value |
|---|---|
| Formula | C26H44N7O18P3 |
| IUPAC Name | ethyl 5-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-ium-4-ylium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]pentanoate |
| Molecular Mass | 835.585 g·mol−1 |
| Heat of Formation | -4115.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 11.60 ± 1.08 D |
| Volume | 891.26 Å 3 |
| Surface Area | 746.85 Å 2 |
| HOMO Energy | -9.41 ± 0.55 eV |
| LUMO Energy | -1.28 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OMRRJLLNJAFEOX-ZMHDXICWSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |