ChemSpider 2D Image | CHAPS | C32H58N2O7S

CHAPS

  • Molecular FormulaC32H58N2O7S
  • Average mass614.877 Da
  • Monoisotopic mass614.396484 Da
  • ChemSpider ID96843
  • defined stereocentres - 11 of 11 defined stereocentres


More details:



Featured data source



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

1-Propanaminium, N,N-dimethyl-3-sulfo-N-[3-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]propyl]-, inner salt [ACD/Index Name]
1-Propanaminium, N,N-dimethyl-3-sulfo-N-[3-[[(3α,5β,7α,8ξ,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]propyl]-, inner salt [ACD/Index Name]
3-[Dimethyl(3-{[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]-1-propanesulfonate [ACD/IUPAC Name]
3-[Diméthyl(3-{[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]-1-propanesulfonate [French] [ACD/IUPAC Name]
3-[Dimethyl(3-{[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]-1-propansulfonat [German] [ACD/IUPAC Name]
3-[Dimethyl(3-{[(3α,5β,7α,8ξ,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]-1-propanesulfonate [ACD/IUPAC Name]
3-[Dimethyl(3-{[(3α,5β,7α,8ξ,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]propan-1-sulfonat
3-[Dimethyl(3-{[(3α,5β,7α,8ξ,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]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-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl}amino)propyl]ammonio}-1-propanesulfonate
CHAPS [Wiki]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

19899_FLUKA [DBID]
C11321 [DBID]
C3023_SIAL [DBID]
C5070_SIAL [DBID]
C9426_SIGMA [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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:

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