Glycocholic Acid

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Properties Simple | Detailed

Formula C26H43NO6
IUPAC Name 2-[[(4r)-4-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-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]acetate
Molecular Mass 465.623 g·mol−1
Heat of Formation -1433.5 ± 16.7 kJ·mol−1
Dipole Moment 8.53 ± 1.08 D
Volume 582.5 Å 3
Surface Area 442.81 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy 0.40 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(4r)-1-oxo-4-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentyl]amino]acetic acid
  • 2-[[(4r)-4-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-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,12s,13r,14s,17r)-3,7,12-trihydroxy-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
  • bpbio1_000553
  • gch
  • glycine, n-((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)-
  • glycine, n-[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]-
  • glycine, n-choloyl-
  • lmst05030001
  • n-((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)glycine
  • n-(3-alpha,7-alpha,12-alpha-trihydroxycholan-24-oyl)glycine
  • n-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)-glycine
  • n-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycine
  • n-(carboxymethyl)-3alpha,7alpha,12alpha-trihydroxyglycine cholate
  • n-[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine
  • n-choloylglycine
  • n-cholylglycine
CAS Number(s)
  • 475-31-0
InChIKey RFDAIACWWDREDC-FRVQLJSFSA-N
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