(3R)-3-Hydroxy-7-[(1R,2S)-2-({[(2S)-2-Methylbutanoyl]Oxy}Methyl)Cyclohexyl]-5-Oxoheptanoic Acid

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Properties Simple | Detailed

Formula C19H32O6
IUPAC Name (3r)-3-hydroxy-7-[(1r,2s)-2-[[(2s)-2-methylbutanoyl]oxymethyl]cyclohexyl]-5-oxo-heptanoic acid
Molecular Mass 356.454 g·mol−1
Heat of Formation -1413.3 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 450.32 Å 3
Surface Area 339.98 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy 0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (1r-(1alpha(r*),2beta(s*)))-beta-hydroxy-2-((2-methyl-1-oxobutoxy)methyl)-delta-oxocyclohexaneheptanoic acid
  • (3r)-3-hydroxy-5-keto-7-[(1r,2s)-2-[[(2s)-2-methylbutanoyl]oxymethyl]cyclohexyl]enanthic acid
  • (3r)-3-hydroxy-7-[(1r,2s)-2-[[(2s)-2-methyl-1-oxobutoxy]methyl]cyclohexyl]-5-oxoheptanoic acid
  • (3r)-3-hydroxy-7-[(1r,2s)-2-[[(2s)-2-methylbutanoyl]oxymethyl]cyclohexyl]-5-oxo-heptanoic acid
  • (3r)-3-hydroxy-7-[(1r,2s)-2-[[(2s)-2-methylbutanoyl]oxymethyl]cyclohexyl]-5-oxoheptanoic acid
  • 7-(2'-((2''-methyl-1''-oxobutoxy)methyl)-1'-cyclohexyl)-3-hydroxy-5-oxoheptanoic acid
  • momc acid
CAS Number(s)
  • 117678-63-4
InChIKey AYDQTMUTROEPAE-KLZNWCGWSA-N
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