(3S,9R,10R)-4,6-Heptadecadiyne-3,9,10-Triol

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Properties Simple | Detailed

Formula C17H28O3
IUPAC Name (3s,9r,10r)-heptadeca-4,6-diyne-3,9,10-triol
Molecular Mass 280.402 g·mol−1
Heat of Formation -392.3 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 366.62 Å 3
Surface Area 289.96 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy 0.00 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,9r,10r)-heptadeca-4,6-diyne-3,9,10-triol
  • (3s-(3r*,9s*,10s*))-4,6-heptadecadiyne-3,9,10-triol
  • 4,6-heptadecadiyne-3,9,10-triol, (3s-(3r*,9s*,10s*))-
  • dihydropanaxacol
CAS Number(s)
  • 124989-71-5
InChIKey ZEWGSHDZCDJZJF-GVDBMIGSSA-N
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