3-O-Sulfo-D-Galactose

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Properties Simple | Detailed

Formula C6H12O9S
IUPAC Name [(1s,2s,3r)-2,3,4-trihydroxy-1-[(1r)-1-hydroxy-2-oxo-ethyl]butyl] hydrogen sulfate
Molecular Mass 260.219 g·mol−1
Heat of Formation -1619.6 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 260.24 Å 3
Surface Area 235.38 Å 2
HOMO Energy -10.39 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • 3-o-sulfogalactose
  • [(1s,2s,3r)-2,3,4-trihydroxy-1-[(1r)-1-hydroxy-2-keto-ethyl]butyl] hydrogen sulfate
  • [(1s,2s,3r)-2,3,4-trihydroxy-1-[(1r)-1-hydroxy-2-oxo-ethyl]butyl] hydrogen sulfate
  • [(1s,2s,3r)-2,3,4-trihydroxy-1-[(1r)-1-hydroxy-2-oxoethyl]butyl] hydrogen sulfate
  • [(2r,3s,4s,5r)-2,4,5,6-tetrahydroxy-1-oxo-hexan-3-yl] hydrogen sulfate
  • [(2r,3s,4s,5r)-2,4,5,6-tetrahydroxy-1-oxohexan-3-yl] hydrogen sulfate
  • d-galactose, 3-(hydrogen sulfate)
  • galactose-3-sulfate
CAS Number(s)
  • 17112-77-5
  • 91448-06-5
InChIKey XBAAKGHPVXQWEM-DPYQTVNSSA-N
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Elements H S C O