B-D-Glucopyranosiduronic Acid, (3A,5B)-24-[(Carboxymethyl)Amino]-24-Oxocholan-3-Yl

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Properties Simple | Detailed

Formula C26H43NO4
IUPAC Name 2-[[(4r)-4-[(3r,5r,8r,9s,10s,13r,14s,17r)-3-hydroxy-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 433.624 g·mol−1
Heat of Formation -1065.7 ± 16.7 kJ·mol−1
Dipole Moment 5.52 ± 1.08 D
Volume 563.41 Å 3
Surface Area 446.12 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy 0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(4r)-4-[(3r,5r,8r,9s,10s,13r,14s,17r)-3-hydroxy-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,5r,8r,9s,10s,13r,14s,17r)-3-hydroxy-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,5r,8r,9s,10s,13r,14s,17r)-3-hydroxy-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
  • glycine, n-((3-alpha,5-beta)-3-hydroxy-24-oxocholan-24-yl)-
  • glycine, n-((3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl)-
  • glycine, n-(3-alpha-hydroxy-5-beta-cholan-24-oyl)- (8ci)
  • glycolithocholate
  • glycolithocholic acid
  • glycolithocholic acid (6ci,7ci)
  • lithocholic acid glycine conjugate
  • lithocholylglycine
  • n-((3-alpha,5-beta)-3-hydroxy-24-oxocholan-24-yl)glycine
  • pdsp2_001234
InChIKey XBSQTYHEGZTYJE-OETIFKLTSA-N
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