Ethyl (2S)-2-[[[(2R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Fluoro-2,5-Dihydrofuran-2-Yl]Oxymethyl-Phenoxy-Phosphoryl]Amino]Propanoate
Properties
Property | Value |
---|---|
Formula | C21H24FN6O6P |
IUPAC Name | ethyl (2s)-2-[[[(2r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-phenoxy-phosphoryl]amino]propanoate |
Molecular Mass | 506.424 g·mol−1 |
Heat of Formation | -999.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.73 ± 1.08 D |
Volume | 550.52 Å 3 |
Surface Area | 389.67 Å 2 |
HOMO Energy | -8.46 ± 0.55 eV |
LUMO Energy | 2.85 ± eV |
Point Group Symmetry | C1 |
InChIKey | FHRHWUBYDUUPDN-BNCZGPJRSA-O |
QR Code | Generate QR Code |
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Elements | C F H O N P |