ChemSpider 2D Image | 3-(Dimethyl{3-[(3,7,12-trihydroxy-24-oxocholan-24-yl)amino]propyl}ammonio)-1-propanesulfonate | C32H58N2O7S

3-(Dimethyl{3-[(3,7,12-trihydroxy-24-oxocholan-24-yl)amino]propyl}ammonio)-1-propanesulfonate

  • Molecular FormulaC32H58N2O7S
  • Average mass614.877 Da
  • Monoisotopic mass614.396484 Da
  • ChemSpider ID2893223

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Propanaminium, N,N-dimethyl-3-sulfo-N-[3-[(3,7,12-trihydroxy-24-oxocholan-24-yl)amino]propyl]-, inner salt [ACD/Index Name]
3-(Dimethyl{3-[(3,7,12-trihydroxy-24-oxocholan-24-yl)amino]propyl}ammonio)-1-propanesulfonate [ACD/IUPAC Name]
3-(Diméthyl{3-[(3,7,12-trihydroxy-24-oxocholan-24-yl)amino]propyl}ammonio)-1-propanesulfonate [French] [ACD/IUPAC Name]
3-(Dimethyl{3-[(3,7,12-trihydroxy-24-oxocholan-24-yl)amino]propyl}ammonio)-1-propansulfonat [German] [ACD/IUPAC Name]
]azaniumyl]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
75621-03-3 [RN]
CHAPS [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -4.32
ACD/LogD (pH 5.5): -3.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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