[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4R,5R)-5-(5-Bromo-2,4-Dioxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C19H23BrN7O12P++ |
IUPAC Name | [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate |
Molecular Mass | 652.303 g·mol−1 |
Heat of Formation | -2115.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.62 ± 1.08 D |
Volume | 610.81 Å 3 |
Surface Area | 423.47 Å 2 |
HOMO Energy | -8.94 ± 0.55 eV |
LUMO Energy | -0.79 ± eV |
Point Group Symmetry | C1 |
InChIKey | USKYHNCKYWVAAO-PGLZXATESA-Q |
QR Code | Generate QR Code |
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Elements | C H O N P Br |