(2S,3S,4R,5R)-2,3,4,5,7-Pentahydroxyheptanal

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Properties Simple | Detailed

Formula C7H14O6
IUPAC Name (2s,3s,4r,5r)-2,3,4,5,7-pentahydroxyheptanal
Molecular Mass 194.182 g·mol−1
Heat of Formation -1135.1 ± 16.7 kJ·mol−1
Dipole Moment 3.62 ± 1.08 D
Volume 224.99 Å 3
Surface Area 211.92 Å 2
HOMO Energy -10.53 ± 0.55 eV
LUMO Energy 0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r,5r)-2,3,4,5,7-pentahydroxyenanthaldehyde
  • 6-deoxy-manno-heptopyranose
  • d-manno-heptose, 6-deoxy-
CAS Number(s)
  • 40653-20-1
InChIKey YTDXCLRWYXTNRN-DBRKOABJSA-N
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