1-(2-Deoxy-2-Fluoro-5-O-Phosphonopentofuranosyl)-5-Methyl-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C10H14FN2O8P++
IUPAC Name [(2r,3r,4s,5r)-4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 340.199 g·mol−1
Heat of Formation -1913.2 ± 16.7 kJ·mol−1
Dipole Moment 6.09 ± 1.08 D
Volume 336.97 Å 3
Surface Area 302.81 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
InChIKey XJQFIHYTCPKUTK-JVZYCSMKSA-P
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