(9S,10E)-9-Hydroxy-11-[(2R,3R)-3-Pentyl-2-Oxiranyl]-10-Undecenoic Acid

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Properties Simple | Detailed

Formula C18H32O4
IUPAC Name (e,9s)-9-hydroxy-11-[(2r,3r)-3-pentyloxiran-2-yl]undec-10-enoic acid
Molecular Mass 312.444 g·mol−1
Heat of Formation -844.0 ± 16.7 kJ·mol−1
Dipole Moment 3.03 ± 1.08 D
Volume 431.33 Å 3
Surface Area 412.81 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy 3.62 ± eV
Point Group Symmetry C1
Synonyms
  • (e,9s)-11-[(2r,3r)-3-amyloxiran-2-yl]-9-hydroxy-undec-10-enoic acid
  • (e,9s)-9-hydroxy-11-[(2r,3r)-3-pentyl-2-oxiranyl]undec-10-enoic acid
  • (e,9s)-9-hydroxy-11-[(2r,3r)-3-pentyloxiran-2-yl]undec-10-enoic acid
  • (trans-12,13-epoxy)-9-hydroxy-10(e)-octadecenoic acid
  • 9oh
InChIKey WCCLYKMJXGYGEN-WFZKJPOOSA-N
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Elements H C O