[[(2R,3R,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Diphosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(3R)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-[[3-Oxo-3-(2-Sulfanylethylamino)Propyl]Amino]Butyl] Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C21H39N7O19P4S |
IUPAC Name | [[(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-diphosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate |
Molecular Mass | 849.530 g·mol−1 |
Heat of Formation | -4489.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 12.69 ± 1.08 D |
Volume | 871.63 Å 3 |
Surface Area | 696.71 Å 2 |
HOMO Energy | -8.94 ± 0.55 eV |
LUMO Energy | -1.68 ± eV |
Point Group Symmetry | C1 |
InChIKey | AGZPHEHSQFTCRM-IBOSZNHHSA-O |
QR Code | Generate QR Code |
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Elements | C H O N P S |