4-Amino-1-[(2R,3S,4R,5R)-3-Fluoro-4-Hydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]-2-Oxo-Pyrimidin-3-Ium-5-Carboxylic Acid

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Properties Simple | Detailed

Formula C10H13FN3O9P
IUPAC Name 4-amino-1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-3-ium-5-carboxylic acid
Molecular Mass 369.197 g·mol−1
Heat of Formation -2027.0 ± 16.7 kJ·mol−1
Dipole Moment 4.55 ± 1.08 D
Volume 355.27 Å 3
Surface Area 315.6 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
InChIKey RSWNDZRKHUVSHC-BYPJNBLXSA-O
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Elements C F H O N P