(2S,3R)-3-[(1R)-1-Hydroxyhexyl]-2-Oxiranecarbaldehyde

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Properties Simple | Detailed

Formula C9H16O3
IUPAC Name (2s,3r)-3-[(1r)-1-hydroxyhexyl]oxirane-2-carbaldehyde
Molecular Mass 172.222 g·mol−1
Heat of Formation -477.3 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 229.72 Å 3
Surface Area 230.43 Å 2
HOMO Energy -10.41 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r)-3-[(1r)-1-hydroxyhexyl]-2-oxiranecarboxaldehyde
  • (2s,3r)-3-[(1r)-1-hydroxyhexyl]oxirane-2-carbaldehyde
  • 2,3-epoxy-4-hydroxynonanal
  • oxiranecarboxaldehyde, 3-(1-hydroxymethyl)-, (2alpha,3beta(s*))-(+-)-
CAS Number(s)
  • 133398-57-9
InChIKey RWEZZEBPLLEJBN-IWSPIJDZSA-N
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Elements H C O