ChemSpider 2D Image | 4-[(E)-2-(3,5-Dihydroxyphenyl)vinyl]phenyl (5xi)-beta-L-lyxo-hexopyranosiduronic acid | C20H20O9

4-[(E)-2-(3,5-Dihydroxyphenyl)vinyl]phenyl (5ξ)-β-L-lyxo-hexopyranosiduronic acid

  • Molecular FormulaC20H20O9
  • Average mass404.367 Da
  • Monoisotopic mass404.110718 Da
  • ChemSpider ID23977046

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

4-[(E)-2-(3,5-Dihydroxyphenyl)vinyl]phenyl (5ξ)-β-L-lyxo-hexopyranosiduronic acid [ACD/IUPAC Name]
4-[(E)-2-(3,5-Dihydroxyphenyl)vinyl]phenyl-(5ξ)-β-L-lyxo-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide (5ξ)-β-L-lyxo-hexopyranosiduronique de 4-[(E)-2-(3,5-dihydroxyphényl)vinyl]phényle [French] [ACD/IUPAC Name]
β-L-lyxo-Hexopyranosiduronic acid, 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl, (5ξ)- [ACD/Index Name]
387372-20-5 [RN]
387372-26-1 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 750.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 268.8±26.4 °C
Index of Refraction: 1.760
Molar Refractivity: 103.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -2.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 98.5±3.0 dyne/cm
Molar Volume: 250.3±3.0 cm3

Click to predict properties on the Chemicalize site


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