(2S)-2-Amino-4-[(1S)-1-[(2S,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-2-[Hydroxy-[Hydroxy(Phosphonooxy)Phosphoryl]Oxy-Phosphoryl]Ethyl]Sulfanyl-Butanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C15H25N6O14P3S |
| IUPAC Name | (2s)-2-amino-4-[(1s)-1-[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]ethyl]sulfanyl-butanoic acid |
| Molecular Mass | 638.377 g·mol−1 |
| Heat of Formation | -3225.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.75 ± 1.08 D |
| Volume | 631.57 Å 3 |
| Surface Area | 464.97 Å 2 |
| HOMO Energy | -8.92 ± 0.55 eV |
| LUMO Energy | -0.95 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MPCIPCNLCHYDEL-IWABNVMOSA-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 |