(3S,4S,5R,6R)-3,4,5,6,7-Pentahydroxy-2-Heptanone

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Properties Simple | Detailed

Formula C7H14O6
IUPAC Name (3s,4s,5r,6r)-3,4,5,6,7-pentahydroxyheptan-2-one
Molecular Mass 194.182 g·mol−1
Heat of Formation -1180.3 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 224.47 Å 3
Surface Area 212.42 Å 2
HOMO Energy -10.43 ± 0.55 eV
LUMO Energy 0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4s,5r,6r)-3,4,5,6,7-pentahydroxyheptan-2-one
  • 1-deoxy-d-manno-heptulose
  • d-manno-2-heptulose, 1-deoxy-
CAS Number(s)
  • 35016-85-4
InChIKey OUSKVHOYPHDTIA-DBRKOABJSA-N
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