(3R)-4-Bromo-3-Hydroxy-3-Methylbutyl Trihydrogen Diphosphate

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Properties Simple | Detailed

Formula C5H13BrO8P2
IUPAC Name [(3r)-4-bromo-3-hydroxy-3-methyl-butyl] phosphono hydrogen phosphate
Molecular Mass 343.003 g·mol−1
Heat of Formation -2167.2 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 304.57 Å 3
Surface Area 270.95 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • 4-bromo-3-hydroxy-3-methyl butyl diphosphate
  • [(3r)-4-bromo-3-hydroxy-3-methyl-butyl] phosphono hydrogen phosphate
  • [(3r)-4-bromo-3-hydroxy-3-methylbutyl] phosphono hydrogen phosphate
  • bhi
InChIKey YKAYCWPQDPILSA-RXMQYKEDSA-N
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Elements P C Br O H