(3S,5S,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-8,8,21-Trimethyl-10,14-Dioxo-19-Thioxo-2,4,6-Trioxa-18-Thia-11,15-Diaza- 3,5-Diphosphatricosan-23-Oic Acid 3,5-Dioxide (Non-Preferred Name)
Properties
| Property | Value |
|---|---|
| Formula | C27H44N7O19P3S2 |
| 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-3-methyl-5-thioxo-pentanoic acid |
| Molecular Mass | 927.725 g·mol−1 |
| Heat of Formation | -4186.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.59 ± 1.08 D |
| Volume | 970.51 Å 3 |
| Surface Area | 791.73 Å 2 |
| HOMO Energy | -8.73 ± 0.55 eV |
| LUMO Energy | -1.38 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JVXXLGZQKQFEOB-VRHQGPGLSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |