(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-10,14,19-Trioxo-2,4,6-Trioxa-18,21-Dithia-11,15-Diaza-3,5-Diphosphatricosan-23-Oic Acid 3,5-Dioxide
Properties
| Property | Value |
|---|---|
| Formula | C25H40N7O19P3S2 |
| IUPAC Name | 2-[2-[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]-2-oxo-ethyl]sulfanylacetic acid |
| Molecular Mass | 899.672 g·mol−1 |
| Heat of Formation | 103.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 14.89 ± 1.08 D |
| Volume | 801.98 Å 3 |
| Surface Area | 706.86 Å 2 |
| HOMO Energy | -8.48 ± 0.55 eV |
| LUMO Energy | -3.16 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GKSSRSUPHZUOQO-ITIYDSSPSA-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 |