(5S,6S)-5-Bromo-6-Hydroxy-5-Methyldihydro-2,4(1H,3H)-Pyrimidinedione

Molecule SVG Image

Properties Simple | Detailed

Formula C5H7BrN2O3
IUPAC Name (5s,6s)-5-bromo-6-hydroxy-5-methyl-hexahydropyrimidine-2,4-dione
Molecular Mass 223.025 g·mol−1
Heat of Formation -567.8 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 187.2 Å 3
Surface Area 177.63 Å 2
HOMO Energy -10.70 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,6s)-5-bromo-6-hydroxy-5-methyl-5,6-dihydrouracil
  • (5s,6s)-5-bromo-6-hydroxy-5-methyl-hexahydropyrimidine-2,4-dione
  • (5s,6s)-5-bromo-6-hydroxy-5-methylhexahydropyrimidine-2,4-dione
  • 2,4(1h,3h)-pyrimidinedione, 5-bromodihydro-6-hydroxy-5-methyl-, trans-(+-)-
  • thymine bromohydrin
CAS Number(s)
  • 57908-04-0
InChIKey ZHSRDOVCKJIGBL-VHUNDSFISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br N