4-(3-{(2R)-3-[2-(1-Hydroxycyclohexyl)Ethyl]-4-Oxo-1,3-Thiazolidin-2-Yl}Propyl)Benzoic Acid

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Formula C21H29NO4S
IUPAC Name 4-[3-[(2r)-3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-thiazolidin-2-yl]propyl]benzoic acid
Molecular Mass 391.524 g·mol−1
Heat of Formation -801.3 ± 16.7 kJ·mol−1
Dipole Moment 0.88 ± 1.08 D
Volume 480.23 Å 3
Surface Area 420.51 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[3-[(2r)-3-[2-(1-hydroxycyclohexyl)ethyl]-4-keto-thiazolidin-2-yl]propyl]benzoic acid
  • 4-[3-[(2r)-3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]benzoic acid
  • 4-[3-[(2r)-3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl]benzoic acid
  • 4-[3-[(2r)-3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-thiazolidin-2-yl]propyl]benzoic acid
InChIKey BCZCFHAXZSPKAV-LJQANCHMSA-N
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