[[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-N-[[4-[2-Hydroxyethyl(Methyl)Amino]Phenyl]Methyl]Phosphonamidic Acid
Properties
Property | Value |
---|---|
Formula | C20H30N7O13P3 |
IUPAC Name | [[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-n-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methyl]phosphonamidic acid |
Molecular Mass | 669.413 g·mol−1 |
Heat of Formation | -2972.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.90 ± 1.08 D |
Volume | 698.67 Å 3 |
Surface Area | 467.08 Å 2 |
HOMO Energy | -8.39 ± 0.55 eV |
LUMO Energy | -1.30 ± eV |
Point Group Symmetry | C1 |
InChIKey | KNPXHEWHIXEKSB-WVSUBDOOSA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |