ChemSpider 2D Image | 3-[(3-{(2-Carboxyethyl)[(tridecafluorohexyl)sulfonyl]amino}propyl)(dimethyl)ammonio]propanoate | C17H21F13N2O6S

3-[(3-{(2-Carboxyethyl)[(tridecafluorohexyl)sulfonyl]amino}propyl)(dimethyl)ammonio]propanoate

  • Molecular FormulaC17H21F13N2O6S
  • Average mass628.403 Da
  • Monoisotopic mass628.091248 Da
  • ChemSpider ID95661422

More details:

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

1-Propanaminium, N-(2-carboxyethyl)-3-[(2-carboxyethyl)[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-N,N-dimethyl-, inner salt [ACD/Index Name]
3-[(3-{(2-Carboxyethyl)[(tridecafluorhexyl)sulfonyl]amino}propyl)(dimethyl)ammonio]propanoat [German] [ACD/IUPAC Name]
3-[(3-{(2-Carboxyethyl)[(tridecafluorohexyl)sulfonyl]amino}propyl)(dimethyl)ammonio]propanoate [ACD/IUPAC Name]
3-[(3-{(2-Carboxyéthyl)[(tridécafluorohexyl)sulfonyl]amino}propyl)(diméthyl)ammonio]propanoate [French] [ACD/IUPAC Name]

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: 8
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.36
ACD/KOC (pH 5.5): 36.55
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.72
Polar Surface Area: 123 Å2
Polarizability:
Surface Tension:
Molar Volume:

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