(1S,5S)-5-Hydroxy-5-(Hydroxymethyl)-4-Oxo-2-Cyclopenten-1-Yl Acetate

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Properties Simple | Detailed

Formula C8H10O5
IUPAC Name [(1s,5s)-5-hydroxy-5-(hydroxymethyl)-4-oxo-cyclopent-2-en-1-yl] acetate
Molecular Mass 186.162 g·mol−1
Heat of Formation -809.4 ± 16.7 kJ·mol−1
Dipole Moment 5.05 ± 1.08 D
Volume 209.9 Å 3
Surface Area 197.62 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry C1
Synonyms
  • 2-cyclopenten-1-one, 4-(acetyloxy)-5-hydroxy-5-(hydroxymethyl)-, (4s-cis)-
  • [(1s,5s)-5-hydroxy-5-(hydroxymethyl)-4-oxo-1-cyclopent-2-enyl] acetate
  • [(1s,5s)-5-hydroxy-5-(hydroxymethyl)-4-oxo-1-cyclopent-2-enyl] ethanoate
  • acetic acid [(1s,5s)-5-hydroxy-5-(hydroxymethyl)-4-oxo-1-cyclopent-2-enyl] ester
  • antibiotic xb 94f(sub 2)
  • pentenomycin ii
  • xb-94-f(sub 2)
CAS Number(s)
  • 50655-21-5
InChIKey AGNRGFRAFJOXHH-JGVFFNPUSA-N
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