[[(3R)-4-[[3-[(Z)-2-[3-[[(2R,3S,4R,5R,6R)-5-Amino-6-[(1R,2R,3S,4R,6S)-4,6-Diamino-2,3-Dihydroxy-Cyclohexoxy]-3,4-Dihydroxy-Tetrahydropyran-2-Yl]Methylamino]-3-Oxo-Propyl]Sulfanylethylideneamino]-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 | C36H62N11O23P3S |
| IUPAC Name | [[(3r)-4-[[3-[(z)-2-[3-[[(2r,3s,4r,5r,6r)-5-amino-6-[(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]-3,4-dihydroxy-tetrahydropyran-2-yl]methylamino]-3-oxo-propyl]sulfanylethylideneamino]-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 | 1141.924 g·mol−1 |
| Heat of Formation | -4886.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.50 ± 1.08 D |
| Volume | 1242.92 Å 3 |
| Surface Area | 921.53 Å 2 |
| HOMO Energy | -8.79 ± 0.55 eV |
| LUMO Energy | -1.83 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ROQNQCOJUYBQBD-BOUWNZBBSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |