ChemSpider 2D Image | 1-O-{2-[(3-Carboxy-2-methylphenyl)amino]benzoyl}hexopyranuronic acid | C21H21NO10

1-O-{2-[(3-Carboxy-2-methylphenyl)amino]benzoyl}hexopyranuronic acid

  • Molecular FormulaC21H21NO10
  • Average mass447.392 Da
  • Monoisotopic mass447.116547 Da
  • ChemSpider ID22546772

More details:

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

1-O-{2-[(3-Carboxy-2-methylphenyl)amino]benzoyl}hexopyranuronic acid [ACD/IUPAC Name]
1-O-{2-[(3-Carboxy-2-methylphenyl)amino]benzoyl}hexopyranuronsäure [German] [ACD/IUPAC Name]
Acide 1-O-{2-[(3-carboxy-2-méthylphényl)amino]benzoyl}hexopyranuronique [French] [ACD/IUPAC Name]
Hexopyranuronic acid, 1-[2-[(3-carboxy-2-methylphenyl)amino]benzoate] [ACD/Index Name]
152832-30-9 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 739.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 401.0±32.9 °C
Index of Refraction: 1.692
Molar Refractivity: 106.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.33
ACD/LogD (pH 5.5): -1.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 93.8±5.0 dyne/cm
Molar Volume: 277.2±5.0 cm3

Click to predict properties on the Chemicalize site


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