(2S,3R)-4-Methylene-5-Oxo-2-Tridecyltetrahydro-3-Furancarboxylic Acid

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Properties Simple | Detailed

Formula C19H32O4
IUPAC Name (2s,3r)-4-methylene-5-oxo-2-tridecyl-tetrahydrofuran-3-carboxylic acid
Molecular Mass 324.455 g·mol−1
Heat of Formation -926.5 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 439.6 Å 3
Surface Area 413.84 Å 2
HOMO Energy -10.84 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-protolichesterinic acid
  • (2s,3r)-4-methylene-5-oxo-2-tridecyl-3-tetrahydrofurancarboxylic acid
  • (2s,3r)-4-methylene-5-oxo-2-tridecyl-tetrahydrofuran-3-carboxylic acid
  • (2s,3r)-4-methylidene-5-oxo-2-tridecyl-oxolane-3-carboxylic acid
  • (2s,3r)-4-methylidene-5-oxo-2-tridecyloxolane-3-carboxylic acid
  • (2s,3r)-5-keto-4-methylene-2-tridecyl-tetrahydrofuran-3-carboxylic acid
  • 3-furancarboxylic acid, tetrahydro-4-methylene-5-oxo-2-tridecyl-, (2s,3r)-
CAS Number(s)
  • 493-46-9
InChIKey WZYZDHVPSZCEEP-DLBZAZTESA-N
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