[(2R,3S,4R,5R)-5-[6-Amino-8-(4-Bromo-2,3-Dioxo-Butyl)Sulfanyl-Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C14H18BrN5O12P2S |
IUPAC Name | [(2r,3s,4r,5r)-5-[6-amino-8-(4-bromo-2,3-dioxo-butyl)sulfanyl-purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate |
Molecular Mass | 622.236 g·mol−1 |
Heat of Formation | -2431.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.76 ± 1.08 D |
Volume | 571.5 Å 3 |
Surface Area | 467.55 Å 2 |
HOMO Energy | -8.82 ± 0.55 eV |
LUMO Energy | -1.38 ± eV |
Point Group Symmetry | C1 |
InChIKey | WQZDSNICOBCQQS-QYVSTXNMSA-O |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C H O N P S Br |