ChemSpider 2D Image | {2-(beta-D-Glucopyranosyloxy)-5-hydroxy-3-[(2E,6E)-8-hydroxy-3,7-dimethyl-2,6-octadien-1-yl]phenyl}acetic acid | C24H34O10

{2-(β-D-Glucopyranosyloxy)-5-hydroxy-3-[(2E,6E)-8-hydroxy-3,7-dimethyl-2,6-octadien-1-yl]phenyl}acetic acid

  • Molecular FormulaC24H34O10
  • Average mass482.521 Da
  • Monoisotopic mass482.215210 Da
  • ChemSpider ID84487564

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

{2-(β-D-Glucopyranosyloxy)-5-hydroxy-3-[(2E,6E)-8-hydroxy-3,7-dimethyl-2,6-octadien-1-yl]phenyl}acetic acid [ACD/IUPAC Name]
{2-(β-D-Glucopyranosyloxy)-5-hydroxy-3-[(2E,6E)-8-hydroxy-3,7-dimethyl-2,6-octadien-1-yl]phenyl}essigsäure [German] [ACD/IUPAC Name]
Acide {2-(β-D-glucopyranosyloxy)-5-hydroxy-3-[(2E,6E)-8-hydroxy-3,7-diméthyl-2,6-octadién-1-yl]phényl}acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 2-(β-D-glucopyranosyloxy)-5-hydroxy-3-[(2E,6E)-8-hydroxy-3,7-dimethyl-2,6-octadien-1-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 790.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 266.4±26.4 °C
Index of Refraction: 1.616
Molar Refractivity: 122.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.40
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.39
ACD/LogD (pH 7.4): -2.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 62.6±3.0 dyne/cm
Molar Volume: 351.6±3.0 cm3

Click to predict properties on the Chemicalize site


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