Chaps

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Formula C32H58N2O7S
IUPAC Name (3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-17-[(1r)-4-[3-[di(methyl)-(3-sulfonatopropyl)ammonio]propylazanidyl]-1-methyl-4-oxo-butyl]-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-olate
Molecular Mass 614.877 g·mol−1
Heat of Formation -1575.6 ± 16.7 kJ·mol−1
Dipole Moment 11.58 ± 1.08 D
Volume 766.66 Å 3
Surface Area 513.92 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 2.70 ± eV
Point Group Symmetry C1
Synonyms
  • 1-propanaminium, n,n-dimethyl-3-sulfo-n-(3-(((3alpha,5beta,7alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)propyl)-,hydroxide, inner salt
  • 1-propanaminium, n,n-dimethyl-n-(3-sulfopropyl)-3-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-, hydroxide, inner salt
  • 3-((3-cholamidopropyl)dimethylammonio)-1-propanesulfonate
  • 3-((3-cholamidopropyl)dimethylammonium)-1-propanesulfonate
  • 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate
  • 3-[dimethyl-[3-[[(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]propyl]ammonio]propane-1-sulfonate
  • 3-[dimethyl-[3-[[(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]propyl]ammonio]propane-1-sulfonate
  • 3-[dimethyl-[3-[[(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]propyl]azaniumyl]propane-1-sulfonate
  • chaps 100 mm solution
  • chaps solution
  • cholic acid sulfobetaine1-propanaminium, n,n-dimethyl-3-sulfo-n-(3-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)propyl)-, hydroxide, inner salt
CAS Number(s)
  • 75621-03-3
InChIKey UMCMPZBLKLEWAF-BCTGSCMUSA-N
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