3-[(2R,3Ar,5R,6R,6Ar)-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]-2,6-Dihydroxy-3A,5,6,6A-Tetrahydrofuro[2,3-D][1,3]Oxathiol-2-Yl]Propanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C19H27N5O16P2S |
| IUPAC Name | 3-[(2r,3ar,5r,6r,6ar)-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]-2,6-dihydroxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]propanoic acid |
| Molecular Mass | 675.454 g·mol−1 |
| Heat of Formation | -3217.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.33 ± 1.08 D |
| Volume | 674.2 Å 3 |
| Surface Area | 568.95 Å 2 |
| HOMO Energy | -9.21 ± 0.55 eV |
| LUMO Energy | -1.35 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ADWONMBGVIYDIE-IOFPOCHNSA-O |
| QR Code | Generate QR Code |
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| Elements | C H O N P S |