ChemSpider 2D Image | puerarin xyloside | C26H28O13

puerarin xyloside

  • Molecular FormulaC26H28O13
  • Average mass548.493 Da
  • Monoisotopic mass548.153015 Da
  • ChemSpider ID10142643

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-[3-(4-hydroxyphenyl)-4-oxo-7-(α-D-xylopyranosyloxy)-4H-chromen-8-yl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[3-(4-hydroxyphenyl)-4-oxo-7-(α-D-xylopyranosyloxy)-4H-chromen-8-yl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[3-(4-hydroxyphényl)-4-oxo-7-(α-D-xylopyranosyloxy)-4H-chromén-8-yl]-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[3-(4-hydroxyphenyl)-4-oxo-7-(α-D-xylopyranosyloxy)-4H-1-benzopyran-8-yl]-, (1S)- [ACD/Index Name]
puerarin xyloside
(1S)-1,5-anhydro-1-[3-(4-hydroxyphenyl)-4-oxo-7-(α-D-xylopyranosyloxy)-4H-1-benzopyran-8-yl]-D-glucitol
Puerarin-xyloside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 872.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.9±3.0 kJ/mol
Flash Point: 294.3±27.8 °C
Index of Refraction: 1.719
Molar Refractivity: 129.4±0.3 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 0.65
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.34
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.29
Polar Surface Area: 216 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 97.6±3.0 dyne/cm
Molar Volume: 328.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement