S-{(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-3,5-Dioxido-10,14-Dioxo-2,4,6-Trioxa-11,15-Diaza-3Lambda~5~,5Lambda~5~-Diphosphaheptadecan-17-Yl} (2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-3-Oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Propanethioate (Non-Preferred Name)
Properties
| Property | Value |
|---|---|
| Formula | C43H66N7O18P3S |
| IUPAC Name | s-[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]ethyl] (2s)-2-[(10r,13s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanethioate |
| Molecular Mass | 1094.007 g·mol−1 |
| Heat of Formation | 1702.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 19.28 ± 1.08 D |
| Volume | 1007.88 Å 3 |
| Surface Area | 832.08 Å 2 |
| HOMO Energy | -7.19 ± 0.55 eV |
| LUMO Energy | -3.80 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CJJBDUCNUMWUJX-ZKTJOKCMSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P S C O N |