1-(2-Chloro-2-Deoxypentofuranosyl)-2,4(1H,3H)-Pyrimidinedione

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Formula C9H11ClN2O5++
IUPAC Name 1-[(2s,3s,4r,5r)-3-chloro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Molecular Mass 262.647 g·mol−1
Heat of Formation -892.1 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 273.74 Å 3
Surface Area 249.54 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
InChIKey XOTUXDQKWDTKSI-APTPUMFKSA-N
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Elements H C N O Cl