ChemSpider 2D Image | 3-Hydroxy-4-[(4-methoxyphenyl)acetyl]phenyl (5xi)-beta-D-xylo-hexopyranoside | C21H24O9

3-Hydroxy-4-[(4-methoxyphenyl)acetyl]phenyl (5ξ)-β-D-xylo-hexopyranoside

  • Molecular FormulaC21H24O9
  • Average mass420.410 Da
  • Monoisotopic mass420.142029 Da
  • ChemSpider ID22884074

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

(5ξ)-β-D-xylo-Hexopyranoside de 3-hydroxy-4-[2-(4-méthoxyphényl)acétyl]phényle [French] [ACD/IUPAC Name]
3-Hydroxy-4-[(4-methoxyphenyl)acetyl]phenyl (5ξ)-β-D-xylo-hexopyranoside [ACD/IUPAC Name]
3-Hydroxy-4-[(4-methoxyphenyl)acetyl]phenyl-(5ξ)-β-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
Ethanone, 1-[4-[(5ξ)-β-D-xylo-hexopyranosyloxy]-2-hydroxyphenyl]-2-(4-methoxyphenyl)- [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: 697.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 245.4±25.0 °C
Index of Refraction: 1.641
Molar Refractivity: 105.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 3.13
ACD/KOC (pH 5.5): 78.50
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.45
ACD/KOC (pH 7.4): 36.28
Polar Surface Area: 146 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 291.2±3.0 cm3

Click to predict properties on the Chemicalize site


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