[(2S,4Ar,6R,7R,7Ar)-6-[6-(Butanoylamino)-8-Thioxo-7H-Purine-1,3-Diium-5-Id-9-Yl]-2-Hydroxy-2-Oxo-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-7-Yl] Butanoate
Properties
| Property | Value |
|---|---|
| Formula | C18H24N5O8PS |
| IUPAC Name | [(2s,4ar,6r,7r,7ar)-6-[6-(butanoylamino)-8-thioxo-7h-purine-1,3-diium-5-id-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate |
| Molecular Mass | 501.451 g·mol−1 |
| Heat of Formation | -1424.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.26 ± 1.08 D |
| Volume | 533.25 Å 3 |
| Surface Area | 466.2 Å 2 |
| HOMO Energy | -8.59 ± 0.55 eV |
| LUMO Energy | -1.56 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LOUXQQACGHYEHD-NMPFFAQMSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |