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

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Properties Simple | Detailed

Formula C18H32O4
IUPAC Name (z,11s)-11-hydroxy-11-[(2r,3r)-3-pentyloxiran-2-yl]undec-9-enoic acid
Molecular Mass 312.444 g·mol−1
Heat of Formation -841.6 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 431.59 Å 3
Surface Area 408.12 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy 3.77 ± eV
Point Group Symmetry C1
Synonyms
  • (trans-12,13-epoxy)-11-hydroxy-9(z)-octadecenoic acid
  • (z,11s)-11-[(2r,3r)-3-amyloxiran-2-yl]-11-hydroxy-undec-9-enoic acid
  • (z,11s)-11-hydroxy-11-[(2r,3r)-3-pentyl-2-oxiranyl]undec-9-enoic acid
  • (z,11s)-11-hydroxy-11-[(2r,3r)-3-pentyloxiran-2-yl]undec-9-enoic acid
  • 11o
InChIKey UZCLYICSWADYGM-RXWDXHPSSA-N
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