5-Bromo-6-Hydroxy-5,6-Dihydrothymidine

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Properties Simple | Detailed

Formula C10H15BrN2O6
IUPAC Name (5s,6s)-5-bromo-6-hydroxy-1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-hexahydropyrimidine-2,4-dione
Molecular Mass 339.140 g·mol−1
Heat of Formation -1154.9 ± 16.7 kJ·mol−1
Dipole Moment 2.13 ± 1.08 D
Volume 315.92 Å 3
Surface Area 264.34 Å 2
HOMO Energy -10.64 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry C1
InChIKey QXTLVJPXEUPBNF-QPGMQRLESA-N
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Elements H C O Br N