ChemSpider 2D Image | 6-O-(4-Hydroxybenzoyl)-D-glucose | C13H16O8

6-O-(4-Hydroxybenzoyl)-D-glucose

  • Molecular FormulaC13H16O8
  • Average mass300.261 Da
  • Monoisotopic mass300.084503 Da
  • ChemSpider ID115015808

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

6-O-(4-Hydroxybenzoyl)-D-glucose [German] [ACD/IUPAC Name]
6-O-(4-Hydroxybenzoyl)-D-glucose [ACD/IUPAC Name]
6-O-(4-Hydroxybenzoyl)-D-glucose [French] [ACD/IUPAC Name]
D-Glucose, 6-(4-hydroxybenzoate) [ACD/Index Name]
[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] 4-hydroxybenzoate
202337-44-8 [RN]
6-O-(p-Hydroxybenzoyl)glucose

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

Density: 1.5±0.1 g/cm3
Boiling Point: 622.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 237.1±25.0 °C
Index of Refraction: 1.620
Molar Refractivity: 69.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.23
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.44
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.38
Polar Surface Area: 145 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 81.0±3.0 dyne/cm
Molar Volume: 197.1±3.0 cm3

Click to predict properties on the Chemicalize site


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