ChemSpider 2D Image | 7-(beta-D-Glucopyranosyloxy)-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-olate | C21H19O10

7-(β-D-Glucopyranosyloxy)-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-olate

  • Molecular FormulaC21H19O10
  • Average mass431.370 Da
  • Monoisotopic mass431.098358 Da
  • ChemSpider ID31150377

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-, ion(1-) [ACD/Index Name]
7-(β-D-Glucopyranosyloxy)-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-olat [German] [ACD/IUPAC Name]
7-(β-D-Glucopyranosyloxy)-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-olate [ACD/IUPAC Name]
7-(β-D-Glucopyranosyloxy)-2-(4-hydroxyphényl)-4-oxo-4H-chromén-5-olate [French] [ACD/IUPAC Name]
apigenin 7-O-β-D-glucoside
apigenin 7-O-β-D-glucoside(1-)
  • Miscellaneous

    • Chemical Class:

      A flavonoid oxoanion that is the conjugate base of apigenin 7-O-beta-D-glucoside, obtained by deprotonation of the 7-hydroxy group. Major microspec; ies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77722
      A flavonoid oxoanion that is the conjugate base of apigenin 7-O-beta-D-glucoside, obtained by deprotonation of the 7-hydroxy group. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77722

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

Density:
Boiling Point: 788.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.4±3.0 kJ/mol
Flash Point: 280.7±26.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.39
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.18
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.50
Polar Surface Area: 169 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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