ChemSpider 2D Image | 3-(Benzoyloxy)-2-hydroxypropyl beta-D-glucopyranosiduronic acid | C16H20O10

3-(Benzoyloxy)-2-hydroxypropyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC16H20O10
  • Average mass372.324 Da
  • Monoisotopic mass372.105652 Da
  • ChemSpider ID29814080

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

3-(Benzoyloxy)-2-hydroxypropyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
3-(Benzoyloxy)-2-hydroxypropyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 3-(benzoyloxy)-2-hydroxypropyle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 3-(benzoyloxy)-2-hydroxypropyl [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 694.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 254.4±25.0 °C
Index of Refraction: 1.623
Molar Refractivity: 84.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -1.18
ACD/LogD (pH 5.5): -3.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 82.9±5.0 dyne/cm
Molar Volume: 238.3±5.0 cm3

Click to predict properties on the Chemicalize site


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