[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-(2-Methyl-4H-Imidazol-1-Ium-4-Id-3-Yl)Phosphinic Acid
Properties
Property | Value |
---|---|
Formula | C14H18N7O6P |
IUPAC Name | [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(2-methyl-4h-imidazol-1-ium-4-id-3-yl)phosphinic acid |
Molecular Mass | 411.310 g·mol−1 |
Heat of Formation | -982.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.16 ± 1.08 D |
Volume | 430.79 Å 3 |
Surface Area | 333.33 Å 2 |
HOMO Energy | -9.03 ± 0.55 eV |
LUMO Energy | 2.35 ± eV |
Point Group Symmetry | C1 |
InChIKey | MTHBJNJVFHMRAD-IDTAVKCVSA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |