2-[[9-[(2R,4As,6R,7R,7Ar)-2,7-Dihydroxy-2-Oxo-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-6-Yl]-2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-8-Yl]Sulfanyl]Acetic Acid
Properties
| Property | Value |
|---|---|
| Formula | C12H16N5O9PS+ |
| IUPAC Name | 2-[[9-[(2r,4as,6r,7r,7ar)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-6-oxo-3h-purine-1,7-diium-4-id-8-yl]sulfanyl]acetic acid |
| Molecular Mass | 437.322 g·mol−1 |
| Heat of Formation | -1519.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 10.61 ± 1.08 D |
| Volume | 420.33 Å 3 |
| Surface Area | 367.09 Å 2 |
| HOMO Energy | -8.75 ± 0.55 eV |
| LUMO Energy | -0.81 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XHLCOCJBEMIUOR-FTCMTTLMSA-P |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |