5-Bromo-1-(2-Deoxypentofuranosyl)-5-Ethyl-6-Methoxydihydro-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C12H19BrN2O6
IUPAC Name (5s,6r)-5-bromo-5-ethyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methoxy-hexahydropyrimidine-2,4-dione
Molecular Mass 367.193 g·mol−1
Heat of Formation -1121.8 ± 16.7 kJ·mol−1
Dipole Moment 5.19 ± 1.08 D
Volume 360.42 Å 3
Surface Area 294.48 Å 2
HOMO Energy -10.20 ± 0.55 eV
LUMO Energy 2.71 ± eV
Point Group Symmetry C1
InChIKey HJKSCXIFBAAKTA-WQQMMQCWSA-N
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Elements H C O Br N