5-Bromo-2'-Deoxy-5-Ethyl-6-Methoxy-5,6-Dihydrouridine

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Properties Simple | Detailed

Formula C12H19BrN2O6
IUPAC Name (5r,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 -1145.9 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 361.31 Å 3
Surface Area 283.0 Å 2
HOMO Energy -10.21 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,6r)-5-bromo-5-ethyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-6-methoxyhexahydropyrimidine-2,4-dione
  • (5r,6r)-5-bromo-5-ethyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxy-1,3-diazinane-2,4-dione
  • (5r,6r)-5-bromo-5-ethyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methoxy-hexahydropyrimidine-2,4-dione
  • (5r,6r)-5-bromo-5-ethyl-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-6-methoxy-5,6-dihydrouracil
  • (5r,6r)-bmedu
  • 2,4(1h,3h)-pyrimidinedione, 5-bromo-1-(2-deoxy-b-d-erythro-pentofuranosyl)-5-ethyldihydro-6-methoxy-, (5r,6r)-
  • 5-bromo-5-ethyl-6-methoxy-5,6-dihydro-2'-deoxyuridine
  • bmedu
CAS Number(s)
  • 155892-40-3
InChIKey HJKSCXIFBAAKTA-GFIAMVSTSA-N
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Elements H C O Br N