[(2R,5R)-5-(2-Amino-8-Bromo-Purine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-2,5-Dihydrofuran-2-Yl]Methoxy-Dihydroxy-Sulfido-Phosphonium
Properties
Property | Value |
---|---|
Formula | C10H12BrN5O6PS |
IUPAC Name | [(2r,5r)-5-(2-amino-8-bromo-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-2,5-dihydrofuran-2-yl]methoxy-dihydroxy-sulfido-phosphonium |
Molecular Mass | 441.175 g·mol−1 |
Heat of Formation | -922.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.80 ± 1.08 D |
Volume | 396.58 Å 3 |
Surface Area | 322.45 Å 2 |
HOMO Energy | -8.97 ± 0.55 eV |
LUMO Energy | 2.20 ± eV |
Point Group Symmetry | C1 |
InChIKey | KVOPAWXJNZMAGC-SPGJFGJESA-O |
QR Code | Generate QR Code |
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Elements | C H O N P S Br |