[(S)-[(2S,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-[(2S,3S,4S,5S,6S)-6-[(1S)-1,2-Dihydroxyethyl]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methyl] Phosphono Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C17H27N5O16P2 |
| IUPAC Name | [(s)-[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-[(2s,3s,4s,5s,6s)-6-[(1s)-1,2-dihydroxyethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl] phosphono hydrogen phosphate |
| Molecular Mass | 619.368 g·mol−1 |
| Heat of Formation | -3317.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.69 ± 1.08 D |
| Volume | 611.43 Å 3 |
| Surface Area | 434.06 Å 2 |
| HOMO Energy | -8.80 ± 0.55 eV |
| LUMO Energy | -1.35 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PUXWGDAJVGEFEC-NSQRXZRYSA-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 |