(2S,3R)-2-[(14S)-14-Hydroxypentadecyl]-4-Methylene-5-Oxotetrahydro-3-Furancarboxylic Acid

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Properties Simple | Detailed

Formula C21H36O5
IUPAC Name (2s,3r)-2-[(14s)-14-hydroxypentadecyl]-4-methylene-5-oxo-tetrahydrofuran-3-carboxylic acid
Molecular Mass 368.508 g·mol−1
Heat of Formation -1136.3 ± 16.7 kJ·mol−1
Dipole Moment 6.38 ± 1.08 D
Volume 499.25 Å 3
Surface Area 465.0 Å 2
HOMO Energy -10.52 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r)-2-[(14s)-14-hydroxypentadecyl]-4-methylene-5-oxo-3-tetrahydrofurancarboxylic acid
  • (2s,3r)-2-[(14s)-14-hydroxypentadecyl]-4-methylene-5-oxo-tetrahydrofuran-3-carboxylic acid
  • (2s,3r)-2-[(14s)-14-hydroxypentadecyl]-4-methylidene-5-oxo-oxolane-3-carboxylic acid
  • (2s,3r)-2-[(14s)-14-hydroxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
  • (2s,3r)-2-[(14s)-14-hydroxypentadecyl]-5-keto-4-methylene-tetrahydrofuran-3-carboxylic acid
  • protoconstipatic acid
CAS Number(s)
  • 73036-29-0
InChIKey UYUDMGMNHAKPEV-YTQUADARSA-N
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