[[(3R)-4-[[3-[2-[2-[3-[4-(3-Aminopropylamino)Butylamino]Propylamino]-2-Oxo-Ethyl]Sulfanylethylamino]-3-Oxo-Propyl]Amino]-3-Hydroxy-2,2-Dimethyl-4-Oxo-Butoxy]-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C33H64N11O17P3S |
| IUPAC Name | [[(3r)-4-[[3-[2-[2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-2-oxo-ethyl]sulfanylethylamino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate |
| Molecular Mass | 1011.911 g·mol−1 |
| Heat of Formation | -3981.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.99 ± 1.08 D |
| Volume | 1154.14 Å 3 |
| Surface Area | 816.11 Å 2 |
| HOMO Energy | -8.78 ± 0.55 eV |
| LUMO Energy | -1.83 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YXXGDPNNNIIEDM-GMHMEAMDSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |