ChemSpider 2D Image | 1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-5-oxo-3-heptanyl beta-D-xylopyranoside | C24H30O9

1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-5-oxo-3-heptanyl β-D-xylopyranoside

  • Molecular FormulaC24H30O9
  • Average mass462.490 Da
  • Monoisotopic mass462.188995 Da
  • ChemSpider ID22943410

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-5-oxo-3-heptanyl β-D-xylopyranoside [ACD/IUPAC Name]
1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-5-oxo-3-heptanyl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
3-Heptanone, 7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)-5-(β-D-xylopyranosyloxy)- [ACD/Index Name]
β-D-Xylopyranoside de 1-(3,4-dihydroxyphényl)-7-(4-hydroxyphényl)-5-oxo-3-heptanyle [French] [ACD/IUPAC 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: 784.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 268.4±26.4 °C
Index of Refraction: 1.652
Molar Refractivity: 117.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 7.25
ACD/KOC (pH 5.5): 143.70
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 7.18
ACD/KOC (pH 7.4): 142.38
Polar Surface Area: 157 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 79.7±5.0 dyne/cm
Molar Volume: 321.7±5.0 cm3

Click to predict properties on the Chemicalize site


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