Glycodeoxycholic Acid

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Properties Simple | Detailed

Formula C26H43NO5
IUPAC Name 2-[[(4r)-4-[(3r,5r,8r,9s,10s,12s,13r,14s,17r)-3,12-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 -1254.3 ± 16.7 kJ·mol−1
Dipole Moment 3.62 ± 1.08 D
Volume 573.79 Å 3
Surface Area 449.67 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy 0.67 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(4r)-4-[(3r,5r,8r,9s,10s,12s,13r,14s,17r)-3,12-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,5r,8r,9s,10s,12s,13r,14s,17r)-3,12-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,5r,8r,9s,10s,12s,13r,14s,17r)-3,12-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
  • n-(3alpha,12alpha-dihydroxy-5beta-cholan-24-oyl)glycine
InChIKey WVULKSPCQVQLCU-BUXLTGKBSA-N
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