ChemSpider 2D Image | (5xi)-1-O-[2-(4-Isobutylphenyl)propanoyl]-beta-L-lyxo-hexopyranuronic acid | C19H26O8

(5ξ)-1-O-[2-(4-Isobutylphenyl)propanoyl]-β-L-lyxo-hexopyranuronic acid

  • Molecular FormulaC19H26O8
  • Average mass382.405 Da
  • Monoisotopic mass382.162781 Da
  • ChemSpider ID23976777
  • defined stereocentres - 4 of 6 defined stereocentres


More details:






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

(5ξ)-1-O-[2-(4-Isobutylphenyl)propanoyl]-β-L-lyxo-hexopyranuronic acid [ACD/IUPAC Name]
(5ξ)-1-O-[2-(4-Isobutylphenyl)propanoyl]-β-L-lyxo-hexopyranuronsäure [German] [ACD/IUPAC Name]
Acide (5ξ)-1-O-[2-(4-isobutylphényl)propanoyl]-β-L-lyxo-hexopyranuronique [French] [ACD/IUPAC Name]
β-L-lyxo-Hexopyranuronic acid, 1-[2-[4-(2-methylpropyl)phenyl]propanoate], (5ξ)- [ACD/Index Name]
115075-59-7 [RN]
Ibuprofen Acyl-¦Â-D-glucuronide
IbuprofenAcyl-¦Â-D-glucuronide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 567.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 198.3±23.6 °C
Index of Refraction: 1.582
Molar Refractivity: 94.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 283.6±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement