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

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Properties Simple | Detailed

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
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Elements C F H O N P