[(2S,3S,4R,5R)-3-[[(2S)-2-[[(2S)-2-Amino-4-Methylsulfanyl-Butanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C24H33N8O8PS |
| IUPAC Name | [(2s,3s,4r,5r)-3-[[(2s)-2-[[(2s)-2-amino-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 624.606 g·mol−1 |
| Heat of Formation | -1412.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.73 ± 1.08 D |
| Volume | 704.09 Å 3 |
| Surface Area | 589.31 Å 2 |
| HOMO Energy | -8.38 ± 0.55 eV |
| LUMO Energy | -0.74 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OEJHFTKGXAANQW-FWHNRVPHSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |