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-[(2r,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 -1127.1 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 314.23 Å 3
Surface Area 264.89 Å 2
HOMO Energy -10.32 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,6s)-5-bromo-6-hydroxy-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-methylhexahydropyrimidine-2,4-dione
  • (5s,6s)-5-bromo-6-hydroxy-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
  • (5s,6s)-5-bromo-6-hydroxy-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-hexahydropyrimidine-2,4-dione
  • (5s,6s)-5-bromo-6-hydroxy-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-5,6-dihydrouracil
  • thymidine bromohydrin
  • thymidine, 5-bromo-5,6-dihydro-6-hydroxy-, (5s,6s)-
CAS Number(s)
  • 43179-28-8
InChIKey QXTLVJPXEUPBNF-NLFXGDPDSA-N
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Elements H C O Br N