5-Thio-D-Glucose

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Properties Simple | Detailed

Formula C6H12O5S
IUPAC Name (2r,3r,4s,5r)-2,3,4,6-tetrahydroxy-5-sulfanyl-hexanal
Molecular Mass 196.221 g·mol−1
Heat of Formation -914.1 ± 16.7 kJ·mol−1
Dipole Moment 2.00 ± 1.08 D
Volume 218.93 Å 3
Surface Area 202.32 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 2.43 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2,3,4,6-tetrahydroxy-5-mercapto-hexanal
  • (2r,3r,4s,5r)-2,3,4,6-tetrahydroxy-5-mercaptohexanal
  • (2r,3r,4s,5r)-2,3,4,6-tetrahydroxy-5-sulfanyl-hexanal
  • (2r,3r,4s,5r)-2,3,4,6-tetrahydroxy-5-sulfanylhexanal
  • 5-thio-alpha-d-glucopyranose
  • alpha-d-glucothiopyranose
  • d-glucose, 5-thio-
  • glucose, 5-thio-, d-
CAS Number(s)
  • 119663-50-2
  • 20408-97-3
InChIKey IJJLRUSZMLMXCN-SLPGGIOYSA-N
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