6-Deoxy-3-O-Methylglucose

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Properties Simple | Detailed

Formula C7H14O5
IUPAC Name (2r,3s,4r,5r)-2,4,5-trihydroxy-3-methoxy-hexanal
Molecular Mass 178.183 g·mol−1
Heat of Formation -924.7 ± 16.7 kJ·mol−1
Dipole Moment 5.20 ± 1.08 D
Volume 216.71 Å 3
Surface Area 200.22 Å 2
HOMO Energy -10.38 ± 0.55 eV
LUMO Energy 3.08 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4r,5r)-2,4,5-trihydroxy-3-methoxy-hexanal
  • (2r,3s,4r,5r)-2,4,5-trihydroxy-3-methoxyhexanal
  • 6-deoxy-3-o-methylmannose
  • acofriose
CAS Number(s)
  • 4598-54-3
InChIKey MPQBLCRFUYGBHE-XZBKPIIZSA-N
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