Methyl (2S)-3-[4-[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxyphenyl]-2-[[(E)-4-Oxobut-2-Enoyl]Amino]Propanoate
Properties
| Property | Value |
|---|---|
| Formula | C24H27N6O11P |
| IUPAC Name | methyl (2s)-3-[4-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphenyl]-2-[[(e)-4-oxobut-2-enoyl]amino]propanoate |
| Molecular Mass | 606.479 g·mol−1 |
| Heat of Formation | -1835.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.88 ± 1.08 D |
| Volume | 655.79 Å 3 |
| Surface Area | 460.85 Å 2 |
| HOMO Energy | -9.04 ± 0.55 eV |
| LUMO Energy | -0.99 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WQSREBKNCZEKFC-SWONRLGOSA-O |
| QR Code | Generate QR Code |
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| Elements | P C H O N |