ChemSpider 2D Image | 5-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-alpha-L-arabinofuranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranose | C25H34O16

5-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-α-L-arabinofuranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-β-D-xylopyranose

  • Molecular FormulaC25H34O16
  • Average mass590.528 Da
  • Monoisotopic mass590.184692 Da
  • ChemSpider ID4451541

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

5-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-α-L-arabinofuranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-β-D-xylopyranose [ACD/IUPAC Name]
5-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-α-L-arabinofuranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-β-D-xylopyranose [German] [ACD/IUPAC Name]
5-O-[(2E)-3-(4-Hydroxy-3-méthoxyphényl)-2-propenoyl]-α-L-arabinofuranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-β-D-xylopyranose [French] [ACD/IUPAC Name]
β-D-Xylopyranose, O-5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-α-L-arabinofuranosyl-(1->3)-O-β-D-xylopyranosyl-(1->4)- [ACD/Index Name]
XYS-(4-1)XYP-(3-1)AHR-(5-2)FER

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

Density: 1.6±0.1 g/cm3
Boiling Point: 910.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.7±3.0 kJ/mol
Flash Point: 302.1±27.8 °C
Index of Refraction: 1.658
Molar Refractivity: 132.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.77
ACD/LogD (pH 5.5): -1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.74
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.71
Polar Surface Area: 244 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 93.0±5.0 dyne/cm
Molar Volume: 360.6±5.0 cm3

Click to predict properties on the Chemicalize site


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