[(2R,3S,5R)-5-(4-Amino-5-Bromo-2-Oxo-Pyrimidin-3-Ium-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,5R)-5-(6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C19H26BrN7O13P2++ |
IUPAC Name | [(2r,3s,5r)-5-(4-amino-5-bromo-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-5-(6-oxo-3h-purine-1,7-diium-4-id-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate |
Molecular Mass | 702.300 g·mol−1 |
Heat of Formation | -2566.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 11.01 ± 1.08 D |
Volume | 662.34 Å 3 |
Surface Area | 459.27 Å 2 |
HOMO Energy | -9.26 ± 0.55 eV |
LUMO Energy | -1.02 ± eV |
Point Group Symmetry | C1 |
InChIKey | FQHMQSZHUOGDLU-PRSXHHODSA-Q |
QR Code | Generate QR Code |
Links | |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C H O N P Br |