6-Deoxy-3-O-Methylaltrose

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Properties Simple | Detailed

Formula C7H14O5
IUPAC Name (2s,3r,4r,5r)-2,4,5-trihydroxy-3-methoxy-hexanal
Molecular Mass 178.183 g·mol−1
Heat of Formation -930.6 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 213.03 Å 3
Surface Area 200.97 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 3.40 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4r,5r)-2,4,5-trihydroxy-3-methoxy-hexanal
  • vallarose
CAS Number(s)
  • 25374-97-4
InChIKey MPQBLCRFUYGBHE-GBNDHIKLSA-N
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DOI
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