(9R,21S)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]-3,5,9,21-Tetrahydroxy-8,8-Dimethyl-10,14,19-Trioxo-2,4,6-Trioxa-18-Thia-11,15-Diaza-3,5-Diphosphatricosan-23-Oic Acid 3,5-Dioxide
Properties
| Property | Value |
|---|---|
| Formula | C26H42N7O20P3S |
| IUPAC Name | (3s)-5-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-hydroxy-5-oxo-pentanoic acid |
| Molecular Mass | 897.633 g·mol−1 |
| Heat of Formation | 695.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 15.35 ± 1.08 D |
| Volume | 910.73 Å 3 |
| Surface Area | 913.69 Å 2 |
| HOMO Energy | -7.00 ± 0.55 eV |
| LUMO Energy | -5.74 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IIYZSYKTQRIPRG-UPWLPGGHSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C S O N |