(E)-(3-Amino-2-Formyl-3-Oxo-Propylidene)-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Ammonium
Properties
| Property | Value |
|---|---|
| Formula | C19H28N7O15P2 |
| IUPAC Name | (e)-(3-amino-2-formyl-3-oxo-propylidene)-[(2r,3r,4s,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]ammonium |
| Molecular Mass | 656.411 g·mol−1 |
| Heat of Formation | -3010.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.35 ± 1.08 D |
| Volume | 668.0 Å 3 |
| Surface Area | 447.03 Å 2 |
| HOMO Energy | -9.07 ± 0.55 eV |
| LUMO Energy | -1.66 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QLJWFTPXZRCMND-PJADBFDPSA-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 |