6-Deoxy-3-O-Methylmannose

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Properties Simple | Detailed

Formula C7H14O5
IUPAC Name (2s,3s,4r,5r)-2,4,5-trihydroxy-3-methoxy-hexanal
Molecular Mass 178.183 g·mol−1
Heat of Formation -948.7 ± 16.7 kJ·mol−1
Dipole Moment 2.55 ± 1.08 D
Volume 212.77 Å 3
Surface Area 197.22 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy 0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r,5r)-2,4,5-trihydroxy-3-methoxy-hexanal
  • (2s,3s,4r,5r)-2,4,5-trihydroxy-3-methoxyhexanal
InChIKey MPQBLCRFUYGBHE-DBRKOABJSA-N
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Elements H C O