Oxo-5-(1-Hydroxy-2,4,6-Heptatriynyl)-1,3-Dioxolane-4-Heptanoic Acid

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Properties Simple | Detailed

Formula C17H18O6
IUPAC Name 7-[(4s,5s)-5-[(1r)-1-hydroxyhepta-2,4,6-triynyl]-2-oxo-1,3-dioxolan-4-yl]heptanoic acid
Molecular Mass 318.321 g·mol−1
Heat of Formation -490.3 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 386.36 Å 3
Surface Area 370.59 Å 2
HOMO Energy -10.06 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 7-[(4s,5s)-5-[(1r)-1-hydroxyhepta-2,4,6-triynyl]-2-keto-1,3-dioxolan-4-yl]enanthic acid
InChIKey YKIOQZBNOCGEOJ-YCPHGPKFSA-N
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