[(2R,3R,4R,5R)-2-(6-Amino-8-Azido-Purine-1,3,7-Triium-9-Yl)-5-Methyl-4-(2,4,6-Trinitrophenoxy)Tetrahydrofuran-3-Yl]Oxy Dihydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C16H15N11O13P |
IUPAC Name | [(2r,3r,4r,5r)-2-(6-amino-8-azido-purine-1,3,7-triium-9-yl)-5-methyl-4-(2,4,6-trinitrophenoxy)tetrahydrofuran-3-yl]oxy dihydrogen phosphate |
Molecular Mass | 600.330 g·mol−1 |
Heat of Formation | -625.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.80 ± 1.08 D |
Volume | 573.29 Å 3 |
Surface Area | 451.32 Å 2 |
HOMO Energy | -9.01 ± 0.55 eV |
LUMO Energy | -2.54 ± eV |
Point Group Symmetry | C1 |
InChIKey | XTOPFVIZHBWMRI-OUSFCYJCSA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |