(2S,3R,4R,5R,6R)-5-Acetamido-2-{[{[(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methoxy}(Hydroxy)Phosphoryl]Oxy}-3-Fluoro-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydro-2H-Pyran-2-Carboxylic Acid

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Formula C20H30FN4O16P
IUPAC Name (2s,3r,4r,5r,6r)-5-acetamido-2-[[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-fluoro-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
Molecular Mass 632.442 g·mol−1
Heat of Formation -3359.6 ± 16.7 kJ·mol−1
Dipole Moment 16.92 ± 1.08 D
Volume 650.13 Å 3
Surface Area 511.25 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
InChIKey HNJLGUNKGJTPBF-JTKQZVQZSA-N
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