ChemSpider 2D Image | (5xi)-1-O-{2-[(2,3-Dimethylphenyl)amino]benzoyl}-beta-L-lyxo-hexopyranuronic acid | C21H23NO8

(5ξ)-1-O-{2-[(2,3-Dimethylphenyl)amino]benzoyl}-β-L-lyxo-hexopyranuronic acid

  • Molecular FormulaC21H23NO8
  • Average mass417.409 Da
  • Monoisotopic mass417.142365 Da
  • ChemSpider ID23977235

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5ξ)-1-O-{2-[(2,3-Dimethylphenyl)amino]benzoyl}-β-L-lyxo-hexopyranuronic acid [ACD/IUPAC Name]
(5ξ)-1-O-{2-[(2,3-Dimethylphenyl)amino]benzoyl}-β-L-lyxo-hexopyranuronsäure [German] [ACD/IUPAC Name]
Acide (5ξ)-1-O-{2-[(2,3-diméthylphényl)amino]benzoyl}-β-L-lyxo-hexopyranuronique [French] [ACD/IUPAC Name]
β-L-lyxo-Hexopyranuronic acid, 1-[2-[(2,3-dimethylphenyl)amino]benzoate], (5ξ)- [ACD/Index Name]
102623-18-7 [RN]
Mefenamic Acyl-?-D-glucuronide
Mefenamic Acyl-β-D-glucuronide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 664.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 355.8±31.5 °C
Index of Refraction: 1.660
Molar Refractivity: 104.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.76
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 77.7±5.0 dyne/cm
Molar Volume: 283.1±5.0 cm3

Click to predict properties on the Chemicalize site


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