ChemSpider 2D Image | 2-Methylphenyl beta-D-glucopyranosiduronic acid | C13H16O7

2-Methylphenyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC13H16O7
  • Average mass284.262 Da
  • Monoisotopic mass284.089600 Da
  • ChemSpider ID57422692

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Methylphenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
2-Methylphenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 2-méthylphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 2-methylphenyl [ACD/Index Name]
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(o-tolyloxy)tetrahydro-2H-pyran-2-carboxylic acid
111897-99-5 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 541.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 208.2±23.6 °C
Index of Refraction: 1.634
Molar Refractivity: 66.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -3.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 79.3±3.0 dyne/cm
Molar Volume: 186.5±3.0 cm3

Click to predict properties on the Chemicalize site


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