6-[(4R,5R)-2-Oxo-5-(Sulfanylmethyl)-4-Imidazolidinyl]Hexanoic Acid

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Properties Simple | Detailed

Formula C10H18N2O3S
IUPAC Name 6-[(4r,5r)-2-oxo-5-(sulfanylmethyl)imidazolidin-4-yl]hexanoic acid
Molecular Mass 246.327 g·mol−1
Heat of Formation -642.4 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 302.21 Å 3
Surface Area 285.71 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[(4r,5r)-2-keto-5-(mercaptomethyl)imidazolidin-4-yl]hexanoic acid
  • 6-[(4r,5r)-2-oxo-5-(sulfanylmethyl)imidazolidin-4-yl]hexanoic acid
  • 6-[(4r,5r)-5-(mercaptomethyl)-2-oxo-4-imidazolidinyl]hexanoic acid
  • 9-mercaptodesthiobiotin
  • 9-mercaptodethiobiotin
CAS Number(s)
  • 139936-57-5
InChIKey ZARFDBYKHCOTRH-SFYZADRCSA-N
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