ChemSpider 2D Image | 1-O-[2-(4-Isobutylphenyl)(3,3,3-~2~H_3_)propanoyl]-beta-D-glucopyranuronic acid | C19H23D3O8

1-O-[2-(4-Isobutylphenyl)(3,3,3-2H3)propanoyl]-β-D-glucopyranuronic acid

  • Molecular FormulaC19H23D3O8
  • Average mass385.423 Da
  • Monoisotopic mass385.181610 Da
  • ChemSpider ID107441555

  • defined stereocentres - 5 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1-O-[2-(4-Isobutylphenyl)(3,3,3-2H3)propanoyl]-β-D-glucopyranuronic acid [ACD/IUPAC Name]
1-O-[2-(4-Isobutylphenyl)(3,3,3-2H3)propanoyl]-β-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
Acide 1-O-[2-(4-isobutylphényl)(3,3,3-2H3)propanoyl]-β-D-glucopyranuronique [French] [ACD/IUPAC Name]
β-D-Glucopyranuronic acid, 1-O-[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl-3,3,3-d3]- [ACD/Index Name]

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

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


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