ChemSpider 2D Image | 5-[(2S)-3-Benzoyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-hydroxybenzoic acid | C24H16N2O8

5-[(2S)-3-Benzoyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-hydroxybenzoic acid

  • Molecular FormulaC24H16N2O8
  • Average mass460.392 Da
  • Monoisotopic mass460.090668 Da
  • ChemSpider ID25058519

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-hydroxy-5-[(5S)-3-hydroxy-5-(4-nitrophenyl)-2-oxo-4-(phenylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid
5-[(2S)-3-Benzoyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-hydroxybenzoesäure [German] [ACD/IUPAC Name]
5-[(2S)-3-Benzoyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-hydroxybenzoic acid [ACD/IUPAC Name]
Acide 5-[(2S)-3-benzoyl-4-hydroxy-2-(4-nitrophényl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-hydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[(2S)-3-benzoyl-2,5-dihydro-4-hydroxy-2-(4-nitrophenyl)-5-oxo-1H-pyrrol-1-yl]-2-hydroxy- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 721.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 390.3±32.9 °C
Index of Refraction: 1.740
Molar Refractivity: 117.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.89
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 161 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 86.5±3.0 dyne/cm
Molar Volume: 290.7±3.0 cm3

Click to predict properties on the Chemicalize site


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