4-Methyl-2-Oxo-2H-Chromen-7-Yl 6-O-Sulfo-β-D-Galactopyranoside

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Properties Simple | Detailed

Formula C16H18O11S
IUPAC Name [(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl hydrogen sulfate
Molecular Mass 418.373 g·mol−1
Heat of Formation -1821.4 ± 16.7 kJ·mol−1
Dipole Moment 5.65 ± 1.08 D
Volume 429.27 Å 3
Surface Area 346.32 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • 4-methylumbelliferyl-6-sulfogalactoside
  • 4-methylumbelliferyl-6-thiogalactoside
  • 4-ubsg
  • [(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-(2-keto-4-methyl-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl hydrogen sulfate
  • [(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-(4-methyl-2-oxo-chromen-7-yl)oxy-oxan-2-yl]methyl hydrogen sulfate
  • [(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl hydrogen sulfate
  • [(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-[(4-methyl-2-oxo-7-chromenyl)oxy]-2-tetrahydropyranyl]methyl hydrogen sulfate
CAS Number(s)
  • 126938-14-5
InChIKey PAMBMLAUEGWIPT-DZQJYWQESA-N
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