ChemSpider 2D Image | 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-(beta-D-xylopyranosyloxy)-4H-chromen-7-olate | C20H17O10

5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-(β-D-xylopyranosyloxy)-4H-chromen-7-olate

  • Molecular FormulaC20H17O10
  • Average mass417.344 Da
  • Monoisotopic mass417.082733 Da
  • ChemSpider ID30785824

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(β-D-xylopyranosyloxy)-, ion(1-) [ACD/Index Name]
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-(β-D-xylopyranosyloxy)-4H-chromen-7-olat [German] [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-(β-D-xylopyranosyloxy)-4H-chromen-7-olate [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxyphényl)-4-oxo-3-(β-D-xylopyranosyloxy)-4H-chromén-7-olate [French] [ACD/IUPAC Name]
kaempferol 3-O-β-D-xyloside
kaempferol 3-O-β-D-xyloside(1-)
  • Miscellaneous

    • Chemical Class:

      An organic anion obtained by selective deprotonation of the 7-hydroxy group of kaempferol 3-O-beta-D-xyloside; major species at pH 7.3. ChEBI CHEBI:76272

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

Density:
Boiling Point: 777.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.6±3.0 kJ/mol
Flash Point: 279.6±26.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.29
ACD/KOC (pH 5.5): 75.65
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.46
Polar Surface Area: 169 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement