Fosravuconazole

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Properties Simple | Detailed

Formula C19H25F2N5O5PS
IUPAC Name ammonia; [(1r,2r)-1-(2,4-difluorophenyl)-2-(4-isopropenyl-5h-thiazol-3-ium-2-yl)-1-(4h-1,2,4-triazol-1-ium-1-ylmethyl)propoxy]methyl phosphate
Molecular Mass 504.468 g·mol−1
Heat of Formation -944.8 ± 16.7 kJ·mol−1
Dipole Moment 9.41 ± 1.08 D
Volume 576.47 Å 3
Surface Area 458.72 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 1.63 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,2r)-2-[4-(4-cyanophenyl)-2-thiazolyl]-1-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-ylmethyl)propoxy]methyl dihydrogen phosphate
  • [(1r,2r)-2-[4-(4-cyanophenyl)thiazol-2-yl]-1-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-ylmethyl)propoxy]methyl dihydrogen phosphate
  • [(2r,3r)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]oxymethyl dihydrogen phosphate
  • bms 379224
InChIKey SYTNEMZCCLUTNX-NPMXOYFQSA-N
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