4-Methyl-2-Oxo-2H-Chromen-7-Yl 5-Thio-β-D-Xylopyranoside

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Properties Simple | Detailed

Formula C15H16O6S
IUPAC Name 4-methyl-7-[(2r,3r,4s,5s)-3,4,5-trihydroxytetrahydrothiopyran-2-yl]oxy-chromen-2-one
Molecular Mass 324.349 g·mol−1
Heat of Formation -932.0 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 347.55 Å 3
Surface Area 305.48 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
Synonyms
  • 4-methyl-7-(5-thio-?-d-xylopyranosyloxy)-2h-chromen-2-one
  • 4-methyl-7-[(2r,3r,4s,5s)-3,4,5-trihydroxytetrahydrothiopyran-2-yl]oxy-chromen-2-one
  • 4-methyl-7-[(2r,3r,4s,5s)-3,4,5-trihydroxytetrahydrothiopyran-2-yl]oxy-coumarin
  • 4-methyl-7-[(2r,3r,4s,5s)-3,4,5-trihydroxythian-2-yl]oxy-chromen-2-one
  • 4-methyl-7-[(2r,3r,4s,5s)-3,4,5-trihydroxythian-2-yl]oxychromen-2-one
  • 4-methyl-7-[[(2r,3r,4s,5s)-3,4,5-trihydroxy-2-tetrahydrothiopyranyl]oxy]-2-chromenone
  • gsk-424323
  • odiparcil
CAS Number(s)
  • 137215-12-4
InChIKey JRHNIQQUVJOPQC-AQNFWKISSA-N
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