(2S,3Ar,4R,6R,6Ar)-4-(6-Amino-9H-Purin-9-Yl)-6-({[Hydroxy(Sulfooxy)Phosphoryl]Oxy}Methyl)Tetrahydrofuro[3,4-D][1,3,2]Dioxaphosphol-2-Ol 2-Oxide
Properties
| Property | Value |
|---|---|
| Formula | C10H13N5O12P2S |
| IUPAC Name | [(2s,3ar,4r,6r,6ar)-4-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl sulfo hydrogen phosphate |
| Molecular Mass | 489.249 g·mol−1 |
| Heat of Formation | -2489.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.66 ± 1.08 D |
| Volume | 436.09 Å 3 |
| Surface Area | 357.81 Å 2 |
| HOMO Energy | -9.42 ± 0.55 eV |
| LUMO Energy | -1.22 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BOTWXJFMSRDLBQ-KQYNXXCUSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |