Glycochenodeoxycholic Acid

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Properties Simple | Detailed

Formula C26H43NO5
IUPAC Name 2-[[(4r)-4-[(3r,5s,7r,8r,9s,10s,13r,14s,17r)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
Molecular Mass 449.623 g·mol−1
Heat of Formation -1245.2 ± 16.7 kJ·mol−1
Dipole Moment 6.76 ± 1.08 D
Volume 570.3 Å 3
Surface Area 449.82 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy 0.59 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(4r)-4-[(3r,5s,7r,8r,9s,10s,13r,14s,17r)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]-1-oxopentyl]amino]acetic acid
  • 2-[[(4r)-4-[(3r,5s,7r,8r,9s,10s,13r,14s,17r)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
  • 2-[[(4r)-4-[(3r,5s,7r,8r,9s,10s,13r,14s,17r)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid
  • [(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]acetic acid
  • chenodeoxycholylglycine
  • glycine chenodeoxycholate
  • glycine, n-((3alpha,5beta,7alpha)-3,7-dihydroxy-24-oxocholan-24-yl)-
  • glycochenodeoxycholate
  • n-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)glycine
CAS Number(s)
  • 640-79-9
  • 36258-33-0
InChIKey GHCZAUBVMUEKKP-GYPHWSFCSA-N
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