[(3R)-4-[[3-[2-[(1R,2R)-2-Amino-1-[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methylsulfamoylmethyl]-3-Methyl-Butyl]Sulfanylethylamino]-3-Oxo-Propyl]Amino]-3-Hydroxy-2,2-Dimethyl-4-Oxo-Butoxy]-Oxido-Oxo-Phosphonium
Properties
| Property | Value |
|---|---|
| Formula | C27H48N9O11PS2 |
| IUPAC Name | [(3r)-4-[[3-[2-[(1r,2r)-2-amino-1-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfamoylmethyl]-3-methyl-butyl]sulfanylethylamino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-oxido-oxo-phosphonium |
| Molecular Mass | 769.827 g·mol−1 |
| Heat of Formation | -2028.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.89 ± 1.08 D |
| Volume | 865.44 Å 3 |
| Surface Area | 719.87 Å 2 |
| HOMO Energy | -8.99 ± 0.55 eV |
| LUMO Energy | -0.77 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NNLTZQPKYQQWJU-AWSFPXBRSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |