ChemSpider 2D Image | 3-(Dimethyl{3-[(9E)-9-octadecenoylamino]propyl}ammonio)-2-hydroxy-1-propanesulfonate | C26H52N2O5S

3-(Dimethyl{3-[(9E)-9-octadecenoylamino]propyl}ammonio)-2-hydroxy-1-propanesulfonate

  • Molecular FormulaC26H52N2O5S
  • Average mass504.767 Da
  • Monoisotopic mass504.359680 Da
  • ChemSpider ID57510183

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Propanaminium, 2-hydroxy-N,N-dimethyl-N-[3-[[(9E)-1-oxo-9-octadecen-1-yl]amino]propyl]-3-sulfo-, inner salt [ACD/Index Name]
3-(Dimethyl{3-[(9E)-9-octadecenoylamino]propyl}ammonio)-2-hydroxy-1-propanesulfonate [ACD/IUPAC Name]
3-(Diméthyl{3-[(9E)-9-octadecenoylamino]propyl}ammonio)-2-hydroxy-1-propanesulfonate [French] [ACD/IUPAC Name]
3-(Dimethyl{3-[(9E)-9-octadecenoylamino]propyl}ammonio)-2-hydroxy-1-propansulfonat [German] [ACD/IUPAC Name]
3-{DIMETHYL[3-(OCTADEC-9-ENAMIDO)PROPYL]AMMONIO}-2-HYDROXYPROPANE-1-SULFONATE

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: 7
#H bond donors: 3
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 1
ACD/LogP: 0.69
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.50
ACD/KOC (pH 5.5): 68.94
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.50
ACD/KOC (pH 7.4): 68.94
Polar Surface Area: 115 Å2
Polarizability:
Surface Tension:
Molar Volume:

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