ChemSpider 2D Image | 4-{2-[4-(beta-D-Glucopyranuronosyloxy)phenyl]-2-propanyl}phenyl beta-D-erythro-hexopyranosiduronic acid | C27H32O14

4-{2-[4-(β-D-Glucopyranuronosyloxy)phenyl]-2-propanyl}phenyl β-D-erythro-hexopyranosiduronic acid

  • Molecular FormulaC27H32O14
  • Average mass580.535 Da
  • Monoisotopic mass580.179199 Da
  • ChemSpider ID77498977

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

4-{2-[4-(β-D-Glucopyranuronosyloxy)phenyl]-2-propanyl}phenyl β-D-erythro-hexopyranosiduronic acid [ACD/IUPAC Name]
4-{2-[4-(β-D-Glucopyranuronosyloxy)phenyl]-2-propanyl}phenyl-β-D-erythro-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-érythro-hexopyranosiduronique de 4-{2-[4-(β-D-glucopyranuronosyloxy)phényl]-2-propanyl}phényle [French] [ACD/IUPAC Name]
β-D-erythro-Hexopyranosiduronic acid, 4-[1-[4-(β-D-glucopyranuronosyloxy)phenyl]-1-methylethyl]phenyl [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: 892.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.0±3.0 kJ/mol
Flash Point: 295.4±27.8 °C
Index of Refraction: 1.667
Molar Refractivity: 135.6±0.3 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.19
ACD/LogD (pH 5.5): -6.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 233 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 89.3±3.0 dyne/cm
Molar Volume: 364.2±3.0 cm3

Click to predict properties on the Chemicalize site


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