[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] (2R)-2-Amino-6-[[(E)-But-2-Enoyl]Amino]Hexanoate
Properties
Property | Value |
---|---|
Formula | C20H32N7O9P |
IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2r)-2-amino-6-[[(e)-but-2-enoyl]amino]hexanoate |
Molecular Mass | 545.483 g·mol−1 |
Heat of Formation | -1700.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.48 ± 1.08 D |
Volume | 604.25 Å 3 |
Surface Area | 520.35 Å 2 |
HOMO Energy | -9.24 ± 0.55 eV |
LUMO Energy | -0.69 ± eV |
Point Group Symmetry | C1 |
InChIKey | LHHJTQMSXUIODG-XNGPLBMESA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |