[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]Methyl (3R)-4-({3-[(2-{[2-(2,4-Dihydroxyphenyl)-2-Oxoethyl]Sulfanyl}Ethyl)Amino]-3-Oxopropyl}Amino)-3-Hydroxy-2, 2-Dimethyl-4-Oxobutyl Dihydrogen Diphosphate (Non-Preferred Name)
Properties
| Property | Value |
|---|---|
| Formula | C29H42N7O19P3S |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurin-9-ium-6-ylium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(3r)-4-[[3-[2-[2-(2,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanylethylamino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butyl] hydrogen phosphate |
| Molecular Mass | 917.666 g·mol−1 |
| Heat of Formation | -4083.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 10.22 ± 1.08 D |
| Volume | 955.52 Å 3 |
| Surface Area | 784.36 Å 2 |
| HOMO Energy | -8.72 ± 0.55 eV |
| LUMO Energy | -1.28 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WNZSFAUZOOBNIR-VXAHOBLNSA-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 |