[(2R,3S,4R,5R)-5-(6-Amino-8-Bromo-Purine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C10H16BrN5O10P2 |
IUPAC Name | [(2r,3s,4r,5r)-5-(6-amino-8-bromo-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate |
Molecular Mass | 508.113 g·mol−1 |
Heat of Formation | -2144.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.19 ± 1.08 D |
Volume | 445.8 Å 3 |
Surface Area | 378.18 Å 2 |
HOMO Energy | -9.23 ± 0.55 eV |
LUMO Energy | 1.64 ± eV |
Point Group Symmetry | C1 |
InChIKey | GRUDOGMXBIRYSC-UUOKFMHZSA-O |
QR Code | Generate QR Code |
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Elements | C H O N P Br |