(9S,10E,12R,13R)-9,12,13-Trihydroxy-10-Octadecenoic Acid

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Properties Simple | Detailed

Formula C18H34O5
IUPAC Name (e,9s,12r,13r)-9,12,13-trihydroxyoctadec-10-enoic acid
Molecular Mass 330.460 g·mol−1
Heat of Formation -1209.8 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 451.63 Å 3
Surface Area 362.87 Å 2
HOMO Energy -10.25 ± 0.55 eV
LUMO Energy 0.20 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey MDIUMSLCYIJBQC-WFZKJPOOSA-N
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Elements H C O