ChemSpider 2D Image | 4-(5-Hydroxy-3-methyl-4-{(E)-[3-methyl-5-oxo-1-(4-sulfonatophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-1H-pyrazol-1-yl)benzenesulfonate | C21H16N4O8S2

4-(5-Hydroxy-3-methyl-4-{(E)-[3-methyl-5-oxo-1-(4-sulfonatophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-1H-pyrazol-1-yl)benzenesulfonate

  • Molecular FormulaC21H16N4O8S2
  • Average mass516.505 Da
  • Monoisotopic mass516.042053 Da
  • ChemSpider ID95761766

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

4-(5-Hydroxy-3-methyl-4-{(E)-[3-methyl-5-oxo-1-(4-sulfonatophenyl)-1,5-dihydro-4H-pyrazol-4-yliden]methyl}-1H-pyrazol-1-yl)benzolsulfonat [German] [ACD/IUPAC Name]
4-(5-Hydroxy-3-methyl-4-{(E)-[3-methyl-5-oxo-1-(4-sulfonatophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-1H-pyrazol-1-yl)benzenesulfonate [ACD/IUPAC Name]
4-(5-Hydroxy-3-méthyl-4-{(E)-[3-méthyl-5-oxo-1-(4-sulfonatophényl)-1,5-dihydro-4H-pyrazol-4-ylidène]méthyl}-1H-pyrazol-1-yl)benzènesulfonate [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-[(4E)-4,5-dihydro-4-[[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]methylene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, ion(2-) [ACD/Index 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: 12
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.86
ACD/LogD (pH 5.5): -5.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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