ChemSpider 2D Image | 3-Hydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl beta-D-galactopyranoside | C21H24O9

3-Hydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl β-D-galactopyranoside

  • Molecular FormulaC21H24O9
  • Average mass420.410 Da
  • Monoisotopic mass420.142029 Da
  • ChemSpider ID22913180
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

1-Propanone, 1-[4-(β-D-galactopyranosyloxy)-2-hydroxyphenyl]-3-(4-hydroxyphenyl)- [ACD/Index Name]
3-Hydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl β-D-galactopyranoside [ACD/IUPAC Name]
3-Hydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
β-D-Galactopyranoside de 3-hydroxy-4-[3-(4-hydroxyphényl)propanoyl]phényle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 748.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 264.3±26.4 °C
Index of Refraction: 1.666
Molar Refractivity: 104.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 3.40
ACD/KOC (pH 5.5): 83.29
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.71
ACD/KOC (pH 7.4): 41.80
Polar Surface Area: 157 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 72.9±3.0 dyne/cm
Molar Volume: 282.1±3.0 cm3

Click to predict properties on the Chemicalize site






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