ChemSpider 2D Image | 3-O-{5-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-L-arabinofuranosyl}-D-xylopyranose | C20H26O12

3-O-{5-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-L-arabinofuranosyl}-D-xylopyranose

  • Molecular FormulaC20H26O12
  • Average mass458.413 Da
  • Monoisotopic mass458.142426 Da
  • ChemSpider ID67162887

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 8 defined stereocentres

More details:

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

3-O-{5-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-L-arabinofuranosyl}-D-xylopyranose [German] [ACD/IUPAC Name]
3-O-{5-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-L-arabinofuranosyl}-D-xylopyranose [ACD/IUPAC Name]
3-O-{5-O-[(2E)-3-(4-Hydroxy-3-méthoxyphényl)-2-propenoyl]-L-arabinofuranosyl}-D-xylopyranose [French] [ACD/IUPAC Name]
D-Xylopyranose, 3-O-[5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-L-arabinofuranosyl]- [ACD/Index Name]
3-O-[5-O-feruloyl-l-arabinofuranosyl]-xylopyranose

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

Density: 1.6±0.1 g/cm3
Boiling Point: 772.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.9±3.0 kJ/mol
Flash Point: 270.1±26.4 °C
Index of Refraction: 1.645
Molar Refractivity: 105.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.54
ACD/LogD (pH 5.5): -1.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.52
ACD/LogD (pH 7.4): -1.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.50
Polar Surface Area: 185 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 85.4±5.0 dyne/cm
Molar Volume: 290.2±5.0 cm3

Click to predict properties on the Chemicalize site


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