ChemSpider 2D Image | 3-(beta-D-Galactopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate | C21H19O11

3-(β-D-Galactopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate

  • Molecular FormulaC21H19O11
  • Average mass447.370 Da
  • Monoisotopic mass447.093292 Da
  • ChemSpider ID30785793

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-(β-D-Galactopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olat [German] [ACD/IUPAC Name]
3-(β-D-Galactopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate [ACD/IUPAC Name]
3-(β-D-Galactopyranosyloxy)-5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-olate [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(β-D-galactopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-, ion(1-) [ACD/Index Name]
-D-galactoside
kaempferol 3-<i&gt;O</i>-&;β
Kaempferol 3-O-β-D-galactoside
kaempferol 3-O-β-D-galactoside(1-)
Trifolin [Wiki]
  • Miscellaneous

    • Chemical Class:

      An organic anion obtained by selective deprotonation of the 7-hydroxy group of kaempferol 3-O-beta-D-galactoside; major species at pH 7.3. ChEBI CHEBI:76104

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

Density:
Boiling Point: 823.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.4±3.0 kJ/mol
Flash Point: 291.6±27.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 2.17
ACD/KOC (pH 5.5): 56.11
ACD/LogD (pH 7.4): -0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.83
Polar Surface Area: 189 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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