5-[(4-Bromo-2,3-Dioxobutyl)Sulfanyl]-3-(2,5-Di-O-Phosphono-D-Ribofuranosyl)-3,9-Dihydroimidazo[2,1-I]Purin-6-Ium
Properties
| Property | Value |
|---|---|
| Formula | C16H19BrN5O12P2S+ |
| IUPAC Name | [5-[[2-(4-bromo-2,3-dioxo-butyl)sulfanyl-1-methyl-5,6-bis(methylidyneammonio)pyrimidin-3-ium-4-yl]amino]-3-oxo-4-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]-2-furyl]methyl phosphate |
| Molecular Mass | 647.265 g·mol−1 |
| Heat of Formation | -71.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 30.32 ± 1.08 D |
| Volume | 549.04 Å 3 |
| Surface Area | 446.55 Å 2 |
| HOMO Energy | -7.92 ± 0.55 eV |
| LUMO Energy | -3.60 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UFGRPFGLXVTQEE-CGEWXTDFSA-O |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O N P S Br |