(2R)-2-[5-[3-[[(1S,2R)-4-[[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-1,2-Dihydroxy-3,3-Dimethyl-Butyl]Amino]Propanoylamino]-2-Oxo-Pentyl]-2-Hydroxy-Butanedioic Acid
Properties
| Property | Value |
|---|---|
| Formula | C28H46N7O22P3 |
| IUPAC Name | (2r)-2-[5-[3-[[(1s,2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-1,2-dihydroxy-3,3-dimethyl-butyl]amino]propanoylamino]-2-oxo-pentyl]-2-hydroxy-butanedioic acid |
| Molecular Mass | 925.620 g·mol−1 |
| Heat of Formation | -4827.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.99 ± 1.08 D |
| Volume | 976.83 Å 3 |
| Surface Area | 795.04 Å 2 |
| HOMO Energy | -9.27 ± 0.55 eV |
| LUMO Energy | -1.36 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SFOGBBWOPDENBZ-LWCHDFGBSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |