5-Bromo-6-Ethoxy-5,6-Dihydrothymidine

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Properties Simple | Detailed

Formula C12H19BrN2O6
IUPAC Name (5s,6r)-5-bromo-6-ethoxy-1-[(2s,4r,5s)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-hexahydropyrimidine-2,4-dione
Molecular Mass 367.193 g·mol−1
Heat of Formation -1166.7 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 360.83 Å 3
Surface Area 291.28 Å 2
HOMO Energy -10.38 ± 0.55 eV
LUMO Energy 2.55 ± eV
Point Group Symmetry C1
InChIKey BMLVQJNITGJOAB-CJBOUFDBSA-N
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Elements H C O Br N