ChemSpider 2D Image | 1-{[(1E)-11-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-1-hydroxy-1-undecen-1-yl]oxy}-5-hydroxy-2-oxo-2,3-dihydro-1H-pyrrole-3-sulfonic acid | C19H26N2O9S

1-{[(1E)-11-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-1-hydroxy-1-undecen-1-yl]oxy}-5-hydroxy-2-oxo-2,3-dihydro-1H-pyrrole-3-sulfonic acid

  • Molecular FormulaC19H26N2O9S
  • Average mass458.483 Da
  • Monoisotopic mass458.135895 Da
  • ChemSpider ID95633637

  • Double-bond stereo - Double-bond stereo

More details:

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

1-{[(1E)-11-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-1-hydroxy-1-undecen-1-yl]oxy}-5-hydroxy-2-oxo-2,3-dihydro-1H-pyrrol-3-sulfonsäure [German] [ACD/IUPAC Name]
1-{[(1E)-11-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-1-hydroxy-1-undecen-1-yl]oxy}-5-hydroxy-2-oxo-2,3-dihydro-1H-pyrrole-3-sulfonic acid [ACD/IUPAC Name]
1H-Pyrrole-3-sulfonic acid, 1-[[(1E)-11-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-hydroxy-1-undecen-1-yl]oxy]-2,3-dihydro-5-hydroxy-2-oxo- [ACD/Index Name]
Acide 1-{[(1E)-11-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-1-hydroxy-1-undécén-1-yl]oxy}-5-hydroxy-2-oxo-2,3-dihydro-1H-pyrrole-3-sulfonique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.631
Molar Refractivity: 108.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 1.07
ACD/LogD (pH 5.5): -3.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 170 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 77.8±5.0 dyne/cm
Molar Volume: 304.6±5.0 cm3

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