2'-Deoxy-2'-Fluorocytidine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C9H13FN3O7P
IUPAC Name [(2r,3r,4r,5r)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 325.188 g·mol−1
Heat of Formation -1652.7 ± 16.7 kJ·mol−1
Dipole Moment 8.92 ± 1.08 D
Volume 323.24 Å 3
Surface Area 287.59 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
InChIKey KTAATIGPZHTGOP-XVFCMESISA-O
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Elements C F H O N P