[[(2S,3R,4R,5R)-5-(6-Amino-2-Methylsulfanyl-Purine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C11H18N5O13P3S |
IUPAC Name | [[(2s,3r,4r,5r)-5-(6-amino-2-methylsulfanyl-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
Molecular Mass | 553.273 g·mol−1 |
Heat of Formation | -3084.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.72 ± 1.08 D |
Volume | 532.03 Å 3 |
Surface Area | 388.93 Å 2 |
HOMO Energy | -8.23 ± 0.55 eV |
LUMO Energy | -1.37 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZROHFGXGHMPORS-FCIPNVEPSA-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 |