(2R)-2-[(2S)-8-(2,4-Dichlorophenyl)-2-Hydroxyoctyl]-2-Hydroxysuccinic Acid

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Properties Simple | Detailed

Formula C18H24Cl2O6
IUPAC Name (2r)-2-[(2s)-8-(2,4-dichlorophenyl)-2-hydroxy-octyl]-2-hydroxy-butanedioic acid
Molecular Mass 407.286 g·mol−1
Heat of Formation -1354.8 ± 16.7 kJ·mol−1
Dipole Moment 4.41 ± 1.08 D
Volume 454.61 Å 3
Surface Area 340.78 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(2s)-8-(2,4-dichlorophenyl)-2-hydroxy-octyl]-2-hydroxy-butanedioic acid
  • (2r)-2-[(2s)-8-(2,4-dichlorophenyl)-2-hydroxy-octyl]-2-hydroxy-succinic acid
  • (2r)-2-[(2s)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid
  • +-(3r*,5s*)-3-carboxy-11-(2,4-dichlorophenyl)-3,5-dihydroxyundecanoic acid
  • sb 204990
CAS Number(s)
  • 154566-12-8
InChIKey NPZOIISFQXTCQN-KBXCAEBGSA-N
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Elements H C O Cl