[(2S,3S,5R)-5-(4-Amino-5-Bromo-2-Oxo-Pyrimidin-3-Ium-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C19H26BrN8O10P++ |
IUPAC Name | [(2s,3s,5r)-5-(4-amino-5-bromo-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate |
Molecular Mass | 637.335 g·mol−1 |
Heat of Formation | -1720.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 12.98 ± 1.08 D |
Volume | 605.4 Å 3 |
Surface Area | 426.93 Å 2 |
HOMO Energy | -9.02 ± 0.55 eV |
LUMO Energy | -0.98 ± eV |
Point Group Symmetry | C1 |
InChIKey | IUZAYEXYCITCRA-ASHHDVGLSA-Q |
QR Code | Generate QR Code |
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Elements | C H O N P Br |